CFAM Mol ID	CFAMM00033828
Family	CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family
Superfamily	CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily
Class	CFCAD171 Class 171
External ID	DNC000477	External Source	TTD
PubChem CID	119583	Functional Category	Investigative Drug
Molecule Name	CP-94,253
IUPAC Name	4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms	112885-42-4;AS-4370;AS 4370;TAK-370;DSSTox_CID_26207;DSSTox_RID_81436;DSSTox_GSID_46207;Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);TAK-370, AS-4370, Gasmotin, 112885-42-4;(+-)-4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide citrate
InChi	InChI=1S/C21H25ClFN3O3.C6H8O7/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChiKey	HUZTYZBFZKRPFG-UHFFFAOYSA-N
Formula	C27H33ClFN3O10	Molecular Weight	614.02
Cross Link	CHEMBL1733174
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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