CFam Chemical Families Database
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You are searching for "CFAMM00142627" in compound.

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CFAM Mol ID CFAMM00142627
Family CFFCD201 C-C chemokine receptor type 5 Ligand GW873140 Family
Superfamily CFSAD343 Glucan synthesis regulatory protein Inhibitor Anidulafungin Superfamily
Class CFCAD322 Class 322
External ID DNC000090 External Source TTD
PubChem CID 464989 Functional Category Investigative Drug
Molecule Name 5-methyl orotate
IUPAC Name 4-[4-[[1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid
Synonyms 873140 Compound;AC1OCFQR;UNII-98B425P30V;AK602;GSK873140;5-methyl orotate;UNII-04D148Z3VR;Aplaviroc hydrochloride (USAN);AC1LAAV1;GW-873140
InChi InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28?,29-/m1/s1
InChiKey GWNOTCOIYUNTQP-YPJJGMIRSA-N
Formula C33H43N3O6 Molecular Weight 577.71
Cross Link
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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