Chelist Moleculee

cas:	7689-03-4
einecs:	616-407-7
smiles:	c12c(c(n3Cc4c(c3c2)nc2ccccc2c4)=O)COC([C@@]1(CC)O)=O
name:	Camptothecin
MW:	348.352
formula:	C20H16N2O4
InChi:
InChiKey:
SMARTS:

Other names
Camptothecin

Search by similarity

The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)