CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00176436" in compound.

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CFAM Mol ID CFAMM00176436
Family CFFID58 72 kDa type IV collagenase Inhibitor Batimastat Family
Superfamily CFSID43 72 kDa type IV collagenase Inhibitor Batimastat Superfamily
Class CFCID26 Class 1376
External ID CHEMBL383781 External Source CHEMBL
PubChem CID 11703216 Functional Category Bioactive
Molecule Name dipeptide-derived nitrile, 32
IUPAC Name tert-butyl N-[(2S)-3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate
InChi InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1
Formula C18H21N3O3S Molecular Weight 359.44
Cross Link CHEMBL383781

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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