CFam Chemical Families Database
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You are searching for "CFAMM00408695" in compound.

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CFAM Mol ID CFAMM00408695
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 CHEMBL410566 External Source CHEMBL
PubChem CID 11467626 Functional Category Bioactive
Molecule Name 5,6-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(1R,3R,6S)-6-[3-(morpholin-4-ylmethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]-1H-benzimidazol-2-amine
IUPAC Name 5,6-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(1R,3R,6S)-6-[3-(morpholin-4-ylmethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]-1H-benzimidazol-2-amine
Synonyms CHEBI:463190
InChi InChI=1S/C33H44Cl2N6O/c1-38-10-12-39(13-11-38)8-3-9-41(32-36-30-20-28(34)29(35)21-31(30)37-32)27-6-7-33(22-26(33)19-27)25-5-2-4-24(18-25)23-40-14-16-42-17-15-40/h2,4-5,18,20-21,26-27H,3,6-17,19,22-23H2,1H3,(H,36,37)/t26-,27+,33+/m0/s1
InChiKey LFKWTBBRONKEKP-CLTMYIMISA-N
Formula C33H44Cl2N6O Molecular Weight 611.65
Cross Link CHEMBL410566
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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