CFam Chemical Families Database
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You are searching for "CFAMM00380575" in compound.

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CFAM Mol ID CFAMM00380575
Family CFFBM7475 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[2-(diethylamino)-5-[ethyl(thiophene-2-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid family
Superfamily CFSBM4046 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 7
Class CFCCD37 Class 850
External ID CHEMBL2408063 External Source CHEMBL
PubChem CID 16678739 Functional Category Bioactive
Molecule Name (2S)-2-[[2-(diethylamino)-5-[dimethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
IUPAC Name (2S)-2-[[2-(diethylamino)-5-[dimethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
Synonyms SureCN1413105
InChi InChI=1S/C27H39N7O5/c1-6-32(7-2)25-28-18-22(34(8-3)26(37)31(4)5)23(30-25)29-21(24(35)36)17-19-11-13-20(14-12-19)39-27(38)33-15-9-10-16-33/h11-14,18,21H,6-10,15-17H2,1-5H3,(H,35,36)(H,28,29,30)/t21-/m0/s1
Formula C27H39N7O5 Molecular Weight 541.64
Cross Link CHEMBL2408063

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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