CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00033858" in compound.

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CFAM Mol ID CFAMM00033858
Family CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family
Superfamily CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily
Class CFCAD171 Class 171
External ID CHEMBL442869 External Source CHEMBL
PubChem CID 42618250 Functional Category Bioactive
Molecule Name AGN-PC-068CDS
IUPAC Name 2-[4-[4-[3-[4-[3-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-4-oxobutyl]amino]propyl]phenyl]propylamino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Synonyms ML10302 scaffold, 14;2-[4-[4-[3-[4-[3-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-4-oxobutyl]amino]propyl]phenyl]propylamino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
InChi InChI=1S/C50H72Cl2N8O8/c1-65-45-33-43(53)41(51)31-39(45)49(63)67-29-27-59-23-15-37(16-24-59)57-47(61)9-5-21-55-19-3-7-35-11-13-36(14-12-35)8-4-20-56-22-6-10-48(62)58-38-17-25-60(26-18-38)28-30-68-50(64)40-32-42(52)44(54)34-46(40)66-2/h11-14,31-34,37-38,55-56H,3-10,15-30,53-54H2,1-2H3,(H,57,61)(H,58,62)
Formula C50H72Cl2N8O8 Molecular Weight 984.06
Cross Link CHEMBL442869

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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