CFam Chemical Families Database
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You are searching for "CFAMM00164866" in compound.

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CFAM Mol ID CFAMM00164866
Family CFFCD557 NS5A protein Inhibitor Bms 790052 Family
Superfamily CFSCD507 NS5A protein Inhibitor Bms 790052 Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL413437 External Source CHEMBL
PubChem CID 44422996 Functional Category Bioactive
Molecule Name (3R,6S,9S,17S,20S,23S)-9-[[(2S)-2-acetamidohexanoyl]amino]-6-(1H-imidazol-5-ylmethyl)-20-(1H-indol-2-ylmethyl)-2,5,8,11,19,22-hexaoxo-3-(thiophen-2-ylmethyl)-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
IUPAC Name (3R,6S,9S,17S,20S,23S)-9-[[(2S)-2-acetamidohexanoyl]amino]-6-(1H-imidazol-5-ylmethyl)-20-(1H-indol-2-ylmethyl)-2,5,8,11,19,22-hexaoxo-3-(thiophen-2-ylmethyl)-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
Synonyms CHEBI:477810
InChi InChI=1S/C47H62N12O9S/c1-3-4-13-34(52-27(2)60)42(63)56-37-24-40(61)50-17-8-7-15-33(41(48)62)54-43(64)35(21-29-20-28-11-5-6-14-32(28)53-29)57-46(67)39-16-9-18-59(39)47(68)38(23-31-12-10-19-69-31)58-44(65)36(55-45(37)66)22-30-25-49-26-51-30/h5-6,10-12,14,19-20,25-26,33-39,53H,3-4,7-9,13,15-18,21-24H2,1-2H3,(H2,48,62)(H,49,51)(H,50,61)(H,52,60)(H,54,64)(H,55,66)(H,56,63)(H,57,67)(H,58,65)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
Formula C47H62N12O9S Molecular Weight 971.14
Cross Link CHEMBL413437

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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