CFam Chemical Families Database
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You are searching for "CFAMM00025282" in compound.

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CFAM Mol ID CFAMM00025282
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL421568 External Source CHEMBL
PubChem CID 5481047 Functional Category Bioactive
Molecule Name AC1LAIKF
IUPAC Name (2S)-4-[(4-bromothiophen-2-yl)methyl]-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-3-ylmethyl)pentyl]piperazine-2-carboxamide
Synonyms CHEBI:252875;(2S)-4-[(4-bromothiophen-2-yl)methyl]-N-tert-butyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-3-ylmethyl)pentyl]piperazine-2-carboxamide;(S)-4-(4-Bromo-thiophen-2-ylmethyl)-1-[(2S,4R)-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-3-yl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
InChi InChI=1S/C34H44BrN5O4S/c1-34(2,3)38-33(44)29-20-39(19-27-16-25(35)21-45-27)11-12-40(29)18-26(41)14-24(13-22-7-6-10-36-17-22)32(43)37-31-28-9-5-4-8-23(28)15-30(31)42/h4-10,16-17,21,24,26,29-31,41-42H,11-15,18-20H2,1-3H3,(H,37,43)(H,38,44)/t24-,26+,29+,30-,31+/m1/s1
Formula C34H44BrN5O4S Molecular Weight 698.71
Cross Link CHEMBL421568

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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