CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00453523" in compound.

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CFAM Mol ID CFAMM00453523
Family CFFBM19886 Plasminogen activator inhibitor 1 inhibitor 2-[2-methoxy-6-[[4-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]anilino]methyl]phenoxy]-5-nitrobenzoic acid family
Superfamily CFSID2268 Tyrosine-protein phosphatase non-receptor type 1 Ligand Oxalylaminobenzoic Acid Superfamily
Class CFCID1364 Class 2714
External ID CHEMBL111721 External Source CHEMBL
PubChem CID 44341603 Functional Category Bioactive
Molecule Name 2-[2-carbamoyl-3-methyl-6-[[4-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]anilino]methyl]phenoxy]-3-hydroxy-5-methoxy-4-methylbenzoic acid
IUPAC Name 2-[2-carbamoyl-3-methyl-6-[[4-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]anilino]methyl]phenoxy]-3-hydroxy-5-methoxy-4-methylbenzoic acid
Synonyms CHEBI:286776
InChi InChI=1S/C37H47N3O8/c1-20(2)27-14-7-21(3)15-30(27)47-19-31(41)40-17-24-9-12-26(13-10-24)39-18-25-11-8-22(4)32(36(38)43)34(25)48-35-28(37(44)45)16-29(46-6)23(5)33(35)42/h8-13,16,20-21,27,30,39,42H,7,14-15,17-19H2,1-6H3,(H2,38,43)(H,40,41)(H,44,45)/t21-,27+,30-/m1/s1
Formula C37H47N3O8 Molecular Weight 661.78
Cross Link CHEMBL111721

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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