CFam Chemical Families Database
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You are searching for "CFAMM00410324" in compound.

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CFAM Mol ID CFAMM00410324
Family CFFBM11545 Melanin-concentrating hormone receptor 1 ligand 3-[(1R,3R,6S)-3-[(5,6-difluoro-1H-benzimidazol-2-yl)-[3-(4-methylpiperazin-1-yl)propyl]amino]-6-bicyclo[4.1.0]heptanyl]benzonitrile family
Superfamily CFSBM853 Progesterone receptor and D(2) dopamine receptor Binder Superfamily 2
Class CFCAD667 Class 667
External ID CHEMBL386039 External Source CHEMBL
PubChem CID 11409615 Functional Category Bioactive
Molecule Name [3-[(1R,3R,6S)-3-[(5,6-difluoro-1H-benzimidazol-2-yl)-[3-(4-methylpiperazin-1-yl)propyl]amino]-6-bicyclo[4.1.0]heptanyl]phenyl]methanol
IUPAC Name [3-[(1R,3R,6S)-3-[(5,6-difluoro-1H-benzimidazol-2-yl)-[3-(4-methylpiperazin-1-yl)propyl]amino]-6-bicyclo[4.1.0]heptanyl]phenyl]methanol
Synonyms CHEBI:463174
InChi InChI=1S/C29H37F2N5O/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/h2,4-5,14,16-17,22-23,37H,3,6-13,15,18-19H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1
InChiKey RKGAKQIZJDEHFX-QFWOEDSFSA-N
Formula C29H37F2N5O Molecular Weight 509.63
Cross Link CHEMBL386039
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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