CFAM Mol ID	CFAMM00033824
Family	CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family
Superfamily	CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily
Class	CFCAD171 Class 171
External ID	CHEMBL2113291	External Source	CHEMBL
PubChem CID	17754944	Functional Category	Bioactive
Molecule Name	AGN-PC-01LUA2
IUPAC Name	2-[4-[4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Synonyms	2-[4-[4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
InChi	InChI=1S/C51H79ClN6O9/c1-50(2,3)66-48(62)57(29-13-19-45(59)54-39-17-9-8-10-18-39)27-11-15-37-21-23-38(24-22-37)16-12-28-58(49(63)67-51(4,5)6)30-14-20-46(60)55-40-25-31-56(32-26-40)33-34-65-47(61)41-35-42(52)43(53)36-44(41)64-7/h21-24,35-36,39-40H,8-20,25-34,53H2,1-7H3,(H,54,59)(H,55,60)
InChiKey	BSRMAEQAJPCJKX-UHFFFAOYSA-N
Formula	C51H79ClN6O9	Molecular Weight	955.66
Cross Link	CHEMBL2113291
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

48698 visits since 2014 .........

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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