CFam Chemical Families Database
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You are searching for "CFAMM00153417" in compound.

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CFAM Mol ID CFAMM00153417
Family CFFCD368 D(2) dopamine receptor Ligand Aplindore Fumarate Family
Superfamily CFSCD336 D(2) dopamine receptor Ligand Aplindore Fumarate Superfamily
Class CFCCD245 Class 1058
External ID DCL000698 External Source TTD
PubChem CID 6440763 Functional Category Clinical Trial Drug
Molecule Name Aplindore fumarate
IUPAC Name (2S)-2-[(benzylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one;(E)-but-2-enedioic acid
Synonyms Aplindore fumarate (USAN);WAY-DAB-452;UNII-P13TV5A758;AC1O5U60;Palindore;Aplindore;LS-193407;D03214;189681-71-8;8H-1,4-Dioxino(2,3-e)indol-8-one,2,3,7,9-tetrahydro-2-(((phenylmethyl)amino)methyl)-,2(S)-, (2E)-2-butenediotate (1:1)
InChi InChI=1S/C18H18N2O3.C4H4O4/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-7,13,19H,8-11H2,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1
Formula C22H22N2O7 Molecular Weight 426.42
Cross Link CHEMBL2104864

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).

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