CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00259883" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00259883
Family CFFID2104 Dipeptidyl peptidase 4 Inhibitor N4-(4-chlorobenzyl)-2,4-diaminobutanoylpiperidine Family
Superfamily CFSAD539 Acetylcholinesterase Inhibitor Ambenonium Superfamily
Class CFCAD496 Class 496
External ID CHEMBL1814741 External Source CHEMBL
PubChem CID 56664958 Functional Category Bioactive
Molecule Name (2S)-2-amino-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione;2,2,2-trifluoroacetic acid
IUPAC Name (2S)-2-amino-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione;2,2,2-trifluoroacetic acid
InChi InChI=1S/C29H31ClN4O2.C2HF3O2/c30-25-12-10-22(11-13-25)28(21-6-2-1-3-7-21)33-16-14-32(15-17-33)27(35)18-26(31)29(36)34-19-23-8-4-5-9-24(23)20-34;3-2(4,5)1(6)7/h1-13,26,28H,14-20,31H2;(H,6,7)/t26-,28?;/m0./s1
Formula C31H32ClF3N4O4 Molecular Weight 617.06
Cross Link CHEMBL1814741

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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