CFam Chemical Families Database
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You are searching for "CFAMM00414874" in compound.

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CFAM Mol ID CFAMM00414874
Family CFFBM12293 Dipeptidyl peptidase 4 inhibitor [(2S,4S)-4-(5-nitro-2,3-dihydroindol-1-yl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone family
Superfamily CFSBM5719 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 9 Binder Superfamily 7
Class CFCCD91 Class 904
External ID CHEMBL25788 External Source CHEMBL
PubChem CID 11797718 Functional Category Bioactive
Molecule Name N-tert-butyl-2-cyclopropyl-2-[(2S,5R)-2-[(4-nitrophenyl)methyl]-3,6-dioxo-5-(sulfanylmethyl)piperazin-1-yl]acetamide
IUPAC Name N-tert-butyl-2-cyclopropyl-2-[(2S,5R)-2-[(4-nitrophenyl)methyl]-3,6-dioxo-5-(sulfanylmethyl)piperazin-1-yl]acetamide
Synonyms CHEBI:137930
InChi InChI=1S/C21H28N4O5S/c1-21(2,3)23-19(27)17(13-6-7-13)24-16(18(26)22-15(11-31)20(24)28)10-12-4-8-14(9-5-12)25(29)30/h4-5,8-9,13,15-17,31H,6-7,10-11H2,1-3H3,(H,22,26)(H,23,27)/t15-,16-,17?/m0/s1
Formula C21H28N4O5S Molecular Weight 448.54
Cross Link CHEMBL25788

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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National University of Singapore, Singapore

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