CFam Chemical Families Database
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You are searching for "CFAMM00397910" in compound.

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CFAM Mol ID CFAMM00397910
Family CFFBM9765 Cathepsin K and Cathepsin L1 inhibitor 4-ethyl-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]benzamide family
Superfamily CFSBM347 Cathepsin K and Cathepsin L1 Binder Superfamily 2
Class CFCID1067 Class 2417
External ID CHEMBL434826 External Source CHEMBL
PubChem CID 11158747 Functional Category Bioactive
Molecule Name [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11-dimethoxy-21-[[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzoyl]amino]-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
IUPAC Name [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11-dimethoxy-21-[[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzoyl]amino]-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
Synonyms CHEBI:308902
InChi InChI=1S/C47H59N5O10/c1-28-23-36-41(50-46(57)33-13-11-32(12-14-33)27-51-19-21-52(22-20-51)34-15-17-35(59-5)18-16-34)38(53)26-37(43(36)55)49-45(56)29(2)9-8-10-39(60-6)44(62-47(48)58)31(4)25-30(3)42(54)40(24-28)61-7/h8-18,25-26,28,30,39-40,42,44,54H,19-24,27H2,1-7H3,(H2,48,58)(H,49,56)(H,50,57)/b10-8-,29-9+,31-25+/t28-,30+,39+,40+,42-,44+/m1/s1
Formula C47H59N5O10 Molecular Weight 854.00
Cross Link CHEMBL434826

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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