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ESNATS: Compound selection for in vitro modeling of developmental neurotoxicity The list is serving the development of a test battery analysing different critical windows during prenatal neural cell differentiation 1 (56 chemicals) download ESNATS excel file 
CASEINECSJRC CODEChemical NameSMILES
111-46-6203-872-2JRC-000055Diethylene glycolOCCOCCO
20830-75-5244-068-1JRC-000010DigoxinC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
81-81-2201-377-6JRC-000023WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
951282-21-6--U0126-
149647-78-9--SAHAO=C(Nc1ccccc1)CCCCCCC(=O)NO
23214-92-8245-495-6JRC-000784DoxorubicinCOc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
62229-50-9263-468-7-EGFN([C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@@H](O)C)CCC(=O)N)CS)CCCNC(=N)N)CC(=O)O)CO)Cc1ccc(cc1)O)[C@@H](C)CC)[C@@H](C)C)CS)CC(=O)N)CS)[C@@H](O)C)Cc1ccc(cc1)O)CO)CC(=O)O)CC(C)C)CO)CCC(=O)O)[C@@H](C)CC)Cc1[nH]cnc1)CCSC)CS)[C@@H](C)C)CC(=O)N)CC(C)C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)CNC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CO)Cc2ccc(cc2)O)CCC1)CS)CO)CO)Cc1ccc(cc1)O)CC(=O)O)Cc1ccc(cc1)O)CS
62996-74-1613-127-7-StaurosporineCN[C@H]1C[C@H]2O[C@](C)([C@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
7439-92-1231-100-4-Lead[PbH4]
84371-65-3617-559-7JRC-000210Mifepristone[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
208255-80-5--DAPTCC(NC(=O)CC1=CC(F)=CC(F)=C1)C(=O)NC(C(=O)OC(C)(C)C)C1=CC=CC=C1
64-86-8200-598-5JRC-000007ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
67526-95-8614-076-3-ThapsigarginCCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C
7439-96-5231-105-1-Manganese[Mn]
107-83-5203-523-4-2-MethylpentaneCCCC(C)C
122320-73-4--RosiglitazoneCN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3
184475-35-2--GefitinibFc1ccc(cc1Cl)Nc2ncnc3cc(OC)c(cc23)OCCCN4CCOCC4
211914-51-1--Dabigatranc1cc(cc2c1n(c(n2)CNc1ccc(cc1)C(=N)N)C)C(=O)N(CCC(=O)O)c1ncccc1
33419-42-0251-509-1JRC-000818EtoposideCOc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26
366789-02-8--rivaroxabanC1OCCN(c2ccc(cc2)N2C(O[C@H](C2)CNC(c2sc(cc2)Cl)=O)=O)C1=O
4449-51-8--CyclopamineCC4=C5C[C@@H]1[C@@]6(C)CC[C@H](O)CC6=CC[C@H]1[C@@H]5CC[C@@]24O[C@@H]3C[C@H](C)CN[C@H]3[C@H]2C
5072-26-4--Buthionine sulfoximineC([S@@](CCCC)(=N)=O)C[C@@H](C(O)=O)N
525-66-6208-378-0-PropranololCC(C)NC[C@@H](O)COc1cccc2ccccc12
60-57-1200-484-5-Dieldrin[H][C@]12C[C@]([H])([C@@H]3O[C@H]13)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl
66575-29-9266-410-9JRC-000465ForskolinCC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C
682340-46-1--BisindolylmaleimideCN1CCCC1CCN1C(=CC2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CC2=C(N1)C=CC=C2
10540-29-1234-118-0JRC-000227TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
1371680-76-0--BMP4-
62571-86-2263-607-1-CaptoprilC[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
64-17-5200-578-6JRC-000070EthanolC(C)O
7439-97-6231-106-7-Mercury[Hg]
99-66-1202-777-3JRC-000099Valproic acidC(CCC)(CCC)C(O)=O
103-90-2203-157-5JRC-000002Paracetamolc1(ccc(cc1)O)NC(=O)C
280744-09-4--LiCl,SB-216763N1C(C(=C(C1=O)c1cn(c2ccccc12)C)c1c(cc(cc1)Cl)Cl)=O
33069-62-4608-826-9-TaxolCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
53123-88-9610-965-5-RapamycinCO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O
79902-63-9616-751-8-SimvastatinCCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
81-07-2201-321-0JRC-000339SaccharineO=C1NS(=O)(=O)c2ccccc12
87-78-5201-770-2-MannitolOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
1071-83-6213-997-4-GlyphosateOC(=O)CNCP(=O)(O)O
15687-27-1239-784-6JRC-000269IbuprofenCC(C)Cc1ccc(cc1)C(C)C(=O)O
19545-26-7606-337-5-WortmanninCOC[C@H]1OC(=O)c2coc3C(=O)C4=C([C@@H](C[C@@]5(C)[C@H]4CCC5=O)OC(=O)C)[C@]1(C)c23
320-67-2206-280-2JRC-000820AzacytidineNC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
50-02-2200-003-9JRC-000187Dexamethasone[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
51-21-8200-085-6JRC-0000645-FUFC1=CNC(=O)NC1=O
59865-13-3611-907-1JRC-000048Cyclosporine[H][C@]1(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C
78111-17-8616-589-8-Okadaic acidC[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C
96-14-0202-481-4-3-MethylpentaneCCC(C)CC
146986-50-7--Y-27632C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2
152459-95-5604-855-6-ImatinibCN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1
25550-58-7247-096-2-DinitrophenolOc1cccc(c1[N+](=O)[O-])[N+](=O)[O-]
50-70-4200-061-5JRC-000438SorbitolOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
51-48-9200-101-1JRC-000229T3/T4 (thyroxin)N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
58-27-5200-372-6-MenadioneCC1=CC(=O)c2ccccc2C1=O
7440-38-2231-148-6-Arsenic[As]
7689-03-4616-407-7-Camptothecinc12c(c(n3Cc4c(c3c2)nc2ccccc2c4)=O)COC([C@@]1(CC)O)=O

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