CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00508057" in compound.

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CFAM Mol ID CFAMM00508057
Family CFFBM36651 Proteinase-activated receptor 1 ligand AGN-PC-075QA4 family
Superfamily CFSBM5411 Beta-lactamase and Substance-P receptor Binder Superfamily 2
Class CFCAD647 Class 647
External ID CHEMBL144066 External Source CHEMBL
PubChem CID 44363559 Functional Category Bioactive
Molecule Name AGN-PC-075QA4
IUPAC Name 2-[[2-[[2-[acetyl(1H-indol-3-yloxy)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Synonyms CHEBI:342011;2-[[2-[[2-[acetyl(1H-indol-3-yloxy)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
InChi InChI=1S/C41H53FN12O6/c1-23(2)19-32(37(57)51-31(36(43)56)9-6-18-48-40(44)45)52-38(58)33(20-25-12-16-28(17-13-25)50-41(46)47)53-39(59)34(21-26-10-14-27(42)15-11-26)54(24(3)55)60-35-22-49-30-8-5-4-7-29(30)35/h4-5,7-8,10-17,22-23,31-34,49H,6,9,18-21H2,1-3H3,(H2,43,56)(H,51,57)(H,52,58)(H,53,59)(H4,44,45,48)(H4,46,47,50)
Formula C41H53FN12O6 Molecular Weight 828.93
Cross Link CHEMBL144066

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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