CFam Chemical Families Database
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You are searching for "CFAMM00439743" 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 CFAMM00439743
Family CFFBM16880 D(3) dopamine receptor ligand rac S 33138 family
Superfamily CFSBM6484 Estrogen receptor and Histone deacetylase 6 Binder Superfamily
Class CFCID534 Class 1884
External ID CHEMBL418671 External Source CHEMBL
PubChem CID 9820327 Functional Category Bioactive
Molecule Name rac S 33138
IUPAC Name N-[4-[2-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide
Synonyms 220647-56-3;SureCN7390796;CTK8E9350;CHEBI:200295;rel-N-[4-[2-[(3aS,9bR)-8-Cyano-1,3a,4,9b-tetrahydro[1]benzopyrano[3,4-c]pyrrol-2(3H)-yl]ethyl]phenyl]acetamide
InChi InChI=1S/C22H23N3O2/c1-15(26)24-19-5-2-16(3-6-19)8-9-25-12-18-14-27-22-7-4-17(11-23)10-20(22)21(18)13-25/h2-7,10,18,21H,8-9,12-14H2,1H3,(H,24,26)/t18-,21+/m1/s1
InChiKey ZDZWIQDJFWTDAM-NQIIRXRSSA-N
Formula C22H23N3O2 Molecular Weight 361.44
Cross Link CHEMBL418671
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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