CFAM Mol ID	CFAMM00033701
Family	CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family
Superfamily	CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily
Class	CFCAD171 Class 171
External ID	CHEMBL199150	External Source	CHEMBL
PubChem CID	44404962	Functional Category	Bioactive
Molecule Name	AGN-PC-075XXE
IUPAC Name	2-[4-[[12-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-12-oxododecanoyl]amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-hydroxybenzoate
Synonyms	CHEBI:431341;2-[4-[[12-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-12-oxododecanoyl]amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-hydroxybenzoate
InChi	InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-14-29(15-19-49)47-39(52)11-9-7-5-3-2-4-6-8-10-38(51)46-28-12-16-48(17-13-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
InChiKey	TUIWJMABCCECJM-UHFFFAOYSA-N
Formula	C41H60Cl2N6O8	Molecular Weight	835.86
Cross Link	CHEMBL199150
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

27396 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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