CFam Chemical Families Database
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You are searching for "CFAMM00434378" in compound.

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CFAM Mol ID CFAMM00434378
Family CFFBM15490 C-C chemokine receptor type 5 ligand AC1L9YN4 family
Superfamily CFSBM6616 Cytochrome P450 2C9 and Cytochrome P450 2C19 Binder Superfamily 4
Class CFCID1103 Class 2453
External ID CHEMBL89279 External Source CHEMBL
PubChem CID 478387 Functional Category Bioactive
Molecule Name AC1L9YMD
IUPAC Name N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylthiophene-2-sulfonamide
Synonyms CHEBI:244272;10-{(3S)-3-(3,4-Dichlorophenyl)-4-[methyl(2-thienylsulfonyl)amino]butyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1-one;N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylthiophene-2-sulfonamide
InChi InChI=1S/C27H30Cl2N2O3S3/c1-30(37(33,34)26-7-4-16-35-26)18-21(20-8-9-23(28)24(29)17-20)10-13-31-14-11-27(12-15-31)19-36(32)25-6-3-2-5-22(25)27/h2-9,16-17,21H,10-15,18-19H2,1H3/t21-,36?/m1/s1
InChiKey QTIDZFUSYXAXHM-XAEBCRAKSA-N
Formula C27H30Cl2N2O3S3 Molecular Weight 597.64
Cross Link CHEMBL89279
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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