CFam Chemical Families Database
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You are searching for "CFAMM00408696" in compound.

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CFAM Mol ID CFAMM00408696
Family CFFBM11358 Melanin-concentrating hormone receptor 1 ligand 3-[(1R,3R,6S)-3-[(5,6-dichloro-1H-benzimidazol-2-yl)-[3-(4-methylpiperazin-1-yl)propyl]amino]-6-bicyclo[4.1.0]heptanyl]benzonitrile family
Superfamily CFSBM5462 Melanin-concentrating hormone receptor 1 and Nociceptin receptor Binder Superfamily 2
Class CFCCD203 Class 1016
External ID CHEMBL215277 External Source CHEMBL
PubChem CID 11489588 Functional Category Bioactive
Molecule Name 3-[(1R,3R,6S)-3-[(5,6-dichloro-1H-benzimidazol-2-yl)-[3-(4-methylpiperazin-1-yl)propyl]amino]-6-bicyclo[4.1.0]heptanyl]benzaldehyde
IUPAC Name 3-[(1R,3R,6S)-3-[(5,6-dichloro-1H-benzimidazol-2-yl)-[3-(4-methylpiperazin-1-yl)propyl]amino]-6-bicyclo[4.1.0]heptanyl]benzaldehyde
Synonyms CHEBI:463157
InChi InChI=1S/C29H35Cl2N5O/c1-34-10-12-35(13-11-34)8-3-9-36(28-32-26-16-24(30)25(31)17-27(26)33-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-37/h2,4-5,14,16-17,19,22-23H,3,6-13,15,18H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1
InChiKey KTSMKIKRRIOEJN-QFWOEDSFSA-N
Formula C29H35Cl2N5O Molecular Weight 540.53
Cross Link CHEMBL215277
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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