CFam Chemical Families Database
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You are searching for "CFAMM00451059" 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 CFAMM00451059
Family CFFBM19223 D(3) dopamine receptor ligand S33084 family
Superfamily CFSBM7509 D(3) dopamine receptor ligand S33084 Superfamily
Class CFCID1222 Class 2572
External ID CHEMBL65280 External Source CHEMBL
PubChem CID 9868452 Functional Category Bioactive
Molecule Name S33084
IUPAC Name N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
Synonyms SureCN7395470;S 33084;GTPL129;N-[4-(8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl)butyl]-4-phenylbenzamide;PDSP2_001397;LS-44225;(3aR,9bS)-N-[4-(8-cyano-1,3a,4,9b-tetrahydro-3H-benzopyrano[3,4-c]pyrrole-2-yl)-butyl]-(4-phenyl)benzamide;(3aR,9bS)-N[4-(8-cyano-1,3a,4,9b-tetrahydro-3H-benzopyrano[3,4-c]pyrrole-2-yl)-butyl] (4-phenyl)benzamide;Biphenyl-4-carboxylic acid [4-(8-cyano-1,3a,4,9b-tetrahydro-3H-chromeno[3,4-c]pyrrol-2-yl)-butyl]-amide
InChi InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
InChiKey QQJHRQZZCNYDMX-VPUSJEBWSA-N
Formula C29H29N3O2 Molecular Weight 451.56
Cross Link CHEMBL65280
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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