CFam Chemical Families Database
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You are searching for "CFAMM00213762" in compound.

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

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CFAM Mol ID CFAMM00213762
Family CFFID574 Tumor necrosis factor Inhibitor Y-39041 Family
Superfamily CFSID468 Cytochrome P450 3A4 and Tumor necrosis factor Binder Superfamily
Class CFCAD719 Class 719
External ID ZINC02133805 External Source ZINC
PubChem CID 1789018 Functional Category Natural Product
Molecule Name AC1LWYXV
IUPAC Name [(3S)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-[(4-propan-2-yloxyphenyl)methyl]azanium
Synonyms ZINC02133805;[(3S)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-[(4-propan-2-yloxyphenyl)methyl]azanium
InChi InChI=1S/C27H31NO4/c1-19(2)32-22-11-8-20(9-12-22)17-28-15-14-23(24-6-4-5-7-25(24)29-3)21-10-13-26-27(16-21)31-18-30-26/h4-13,16,19,23,28H,14-15,17-18H2,1-3H3/p+1/t23-/m0/s1
InChiKey VYGPHQDHZIAWRN-QHCPKHFHSA-O
Formula C27H32NO4+ Molecular Weight 434.55
Cross Link
Structure

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

 
2014.08.29
 

 

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


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