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SEURAT-1 GC: SEURAT-1 Gold Compounds Mechanism-Based Selection of Reference Compounds for Toxicity Testing Procedures for the SEURAT-1 research cluster. The SEURAT-1 cluster is addressing hepatic, cardiac, renal, neuronal, muscle, and skin toxicities. The compound selection strategy to date has been developed only for hepatic and cardiac toxicities, and will be expanded with time to other tissues. By agreement across the cluster, carcinogenicity and mutagenicity are excluded from consideration. 1 (19 chemicals) download  excel file 
CASEINECSChemical NameSMILES
103-90-2 203-157-5Acetaminophenc1(ccc(cc1)O)NC(=O)C
10540-29-1 234-118-0TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
107-18-6 203-470-7Allyl AlcoholOCC=C
113558-89-7 E-4031c1(nc(CCN2CCC(CC2)C(c2ccc(cc2)NS(C)(=O)=O)=O)ccc1)C
1162-65-8 214-603-3Aflatoxin B1COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14
144-48-9 205-630-1IodoacetamideNC(=O)CI
157212-55-0 Bosentanc1c(c(ccc1)OC)Oc1c(OCCO)nc(c2ncccn2)nc1NS(c1ccc(C(C)(C)C)cc1)(=O)=O.O
1951-25-3 217-772-1AmiodaroneCCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
23214-92-8 245-495-6DoxorubicinCOc1cccc2C(=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
31282-04-9 250-545-5Hygromycin BCN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O
481658-94-0 Dirlotapidec1c(ccc2n(c(cc12)C(N[C@@H](C(N(Cc1ccccc1)C)=O)c1ccccc1)=O)C)NC(c1ccccc1c1ccc(cc1)C(F)(F)F)=O
50-53-3 200-045-8ChlorpromazineCN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2
51-83-2 200-127-3CarbacholC[N+](C)(C)CCOC(=O)N.[Cl-]
54910-89-3 611-209-7FluoxetineCNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
56-23-5 200-262-8Carbon TetrachlorideClC(Cl)(Cl)Cl
59-05-2 200-413-8MethotrexateCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O
6956-96-3 Dimethoxy-naphthoquinone (DMNQ)C1(=C(C(c2ccccc2C1=O)=O)OC)OC
83-79-4 201-501-9RotenoneCOc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C
99-66-1 202-777-3Valproic AcidC(CCC)(CCC)C(O)=O
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