CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00025262" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00025262
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID ZINC35485304 External Source ZINC
PubChem CID 16404937 Functional Category Natural Product
Molecule Name (S)-N-((S)-3-(1H-indol-3-yl)-1-((4-isopropylphenyl)amino)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
IUPAC Name (3S)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Synonyms STOCK1N-63000;HMS2268A13;ZINC35485304;MCULE-2993040132;SMR000651947;AB00864474-06
InChi InChI=1S/C30H32N4O2/c1-19(2)20-11-13-24(14-12-20)33-30(36)28(16-23-18-31-26-10-6-5-9-25(23)26)34-29(35)27-15-21-7-3-4-8-22(21)17-32-27/h3-14,18-19,27-28,31-32H,15-17H2,1-2H3,(H,33,36)(H,34,35)/t27-,28-/m0/s1
Formula C30H32N4O2 Molecular Weight 480.60
Cross Link

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).

Last update by



83737 visits since 2014 .........


Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.

Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links


Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00025262'),None, txtsearch, CFAMM00025262|