CFam Chemical Families Database
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You are searching for "CFAMM00440877" in compound.

Total 1 results found.

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 CFAMM00440877
Family CFFBM17170 C-C chemokine receptor type 5 ligand AC1L9YPM family
Superfamily CFSBM7002 Prelamin-A/C and Inositol monophosphatase 1 Binder Superfamily 10
Class CFCID218 Class 1568
External ID CHEMBL79770 External Source CHEMBL
PubChem CID 478446 Functional Category Bioactive
Molecule Name AC1L9YPM
IUPAC Name 1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-[(1R)-1-phenylethyl]-1-propylurea
Synonyms CHEBI:232979;1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-[(1R)-1-phenylethyl]-1-propylurea;Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1R)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
InChi InChI=1S/C34H46N4O3S/c1-4-23-38(34(39)35-28(2)29-14-8-5-9-15-29)32-21-25-37(26-22-32)24-20-31(30-16-10-6-11-17-30)27-36(3)42(40,41)33-18-12-7-13-19-33/h5-19,28,31-32H,4,20-27H2,1-3H3,(H,35,39)/t28-,31?/m1/s1
InChiKey ULYSBKOLJAVXSU-ZZTVPSNHSA-N
Formula C34H46N4O3S Molecular Weight 590.82
Cross Link CHEMBL79770
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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