CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00142538" in compound.

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CFAM Mol ID CFAMM00142538
Family CFFCD196 Endothelin-1 receptor Ligand Atrasentan Family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID ZINC04064048 External Source ZINC
PubChem CID 11875396 Functional Category Natural Product
Molecule Name 2-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenylacetamide
IUPAC Name 2-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]-N-phenylacetamide
InChi InChI=1S/C24H28N2O4/c27-22(25-18-6-2-1-3-7-18)15-26-13-12-24(28)11-5-4-8-19(24)23(26)17-9-10-20-21(14-17)30-16-29-20/h1-3,6-7,9-10,14,19,23,28H,4-5,8,11-13,15-16H2,(H,25,27)/p+1/t19-,23-,24-/m0/s1
Formula C24H29N2O4+ Molecular Weight 409.50
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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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