CFam Chemical Families Database
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You are searching for "CFAMM00390883" 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 CFAMM00390883
Family CFFBM8827 Integrin beta-3 and Integrin alpha-V inhibitor (2S)-3-[5-methyl-2-oxo-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid family
Superfamily CFSBM4317 Calcitonin gene-related peptide type 1 receptor and Integrin beta-3 Binder Superfamily
Class CFCBM224 Class 3274
External ID CHEMBL2203473 External Source CHEMBL
PubChem CID 71450341 Functional Category Bioactive
Molecule Name benzyl N-[(2S)-1-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
IUPAC Name benzyl N-[(2S)-1-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
Synonyms
InChi InChI=1S/C27H35N5O4/c1-3-25(33)28-15-8-7-13-23(30-27(35)36-20-22-11-5-4-6-12-22)26(34)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,35)/t23-/m0/s1
InChiKey NUNGLKIUBOOREC-QHCPKHFHSA-N
Formula C27H35N5O4 Molecular Weight 493.60
Cross Link CHEMBL2203473
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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