Chelist Moleculee
cas:146986-50-7
einecs:
smiles:C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2
name:Y-27632
MW:247.336
formula:C14H21N3O
InChi:
InChiKey:
SMARTS:
Other names
Y-27632

Search by similarity
Tanimoto index:
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) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&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)