CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00318308" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00318308
Family CFFBM996 Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-protein ligase XIAP inhibitor (3S,6S,10aS)-N-[(S)-[1-[10-[4-[(S)-[[(3S,6S,10aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]decyl]triazol-4-yl]-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide family
Superfamily CFSBM567 Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-protein ligase XIAP Binder Superfamily
Class CFCBM220 Class 3270
External ID CHEMBL2179407 External Source CHEMBL
PubChem CID 71453762 Functional Category Bioactive
Molecule Name 1-[(2S,4S)-4-(4-cyclohexyltriazol-1-yl)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
IUPAC Name 1-[(2S,4S)-4-(4-cyclohexyltriazol-1-yl)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
InChi InChI=1S/C27H37N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1,3-4,10-11,20,22-23,25H,2,5-9,12-19H2/t23-,25-/m0/s1
Formula C27H37N5O2 Molecular Weight 463.61
Cross Link CHEMBL2179407

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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National University of Singapore, Singapore

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