CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00295282" in compound.

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CFAM Mol ID CFAMM00295282
Family CFFID3642 Endothelin B receptor Ligand IRL-2500 Family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID ZINC02153885 External Source ZINC
PubChem CID 1803319 Functional Category Natural Product
Molecule Name (12aR)-2-(5-hydroxypentyl)-6-(4-isopropylphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Synonyms ZINC02153885
InChi InChI=1S/C28H33N3O3/c1-18(2)19-10-12-20(13-11-19)27-26-22(21-8-4-5-9-23(21)29-26)16-24-28(34)30(14-6-3-7-15-32)17-25(33)31(24)27/h4-5,8-13,18,24,27,29,32H,3,6-7,14-17H2,1-2H3/t24-,27+/m1/s1
Formula C28H33N3O3 Molecular Weight 459.58
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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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National University of Singapore, Singapore

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