CFam Chemical Families Database
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You are searching for "CFAMM00025154" in compound.

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CFAM Mol ID CFAMM00025154
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL2369606 External Source CHEMBL
PubChem CID 10581337 Functional Category Bioactive
Molecule Name (3S,6S,9S,12R,15S,18S)-3,9-dibenzyl-15-(cyclohexylmethyl)-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
IUPAC Name (3S,6S,9S,12R,15S,18S)-3,9-dibenzyl-15-(cyclohexylmethyl)-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
InChi InChI=1S/C47H57N7O7/c1-29(55)41-46(60)52-39(26-32-18-9-4-10-19-32)47(61)54-23-13-22-40(54)45(59)51-36(24-30-14-5-2-6-15-30)42(56)50-38(27-33-28-48-35-21-12-11-20-34(33)35)43(57)49-37(44(58)53-41)25-31-16-7-3-8-17-31/h3-4,7-12,16-21,28-30,36-41,48,55H,2,5-6,13-15,22-27H2,1H3,(H,49,57)(H,50,56)(H,51,59)(H,52,60)(H,53,58)/t29-,36+,37+,38-,39+,40+,41+/m1/s1
Formula C47H57N7O7 Molecular Weight 832.00
Cross Link CHEMBL2369606

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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