CFam Chemical Families Database
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You are searching for "CFAMM00168829" in compound.

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CFAM Mol ID CFAMM00168829
Family CFFCD692 ABC294640 family
Superfamily CFSCD616 ABC294640 Superfamily
Class CFCCD100 Class 913
External ID CHEMBL265825 External Source CHEMBL
PubChem CID 44374221 Functional Category Bioactive
Molecule Name CHEMBL265825
IUPAC Name
Synonyms CHEBI:366736
InChi InChI=1S/C70H91ClN20O12/c1-39(2)32-51-61(96)85-50(18-10-30-81-70(75)76)68(103)91-31-11-19-55(91)65(100)83-48(59(72)94)16-8-28-79-56(93)36-54(63(98)84-49(17-9-29-80-69(73)74)60(95)89-57(66(101)87-51)45-14-6-26-77-37-45)88-67(102)58(46-15-7-27-78-38-46)90-64(99)53(34-41-21-24-47(71)25-22-41)86-62(97)52(82-40(3)92)35-42-20-23-43-12-4-5-13-44(43)33-42/h4-7,12-15,20-27,33,37-39,48-55,57-58H,8-11,16-19,28-32,34-36H2,1-3H3,(H2,72,94)(H,79,93)(H,82,92)(H,83,100)(H,84,98)(H,85,96)(H,86,97)(H,87,101)(H,88,102)(H,89,95)(H,90,99)(H4,73,74,80)(H4,75,76,81)/t48-,49-,50-,51-,52-,53-,54-,55-,57-,58-/m0/s1
InChiKey IKNVVCBECZEYFE-WWHONRAUSA-N
Formula C70H91ClN20O12 Molecular Weight 1440.05
Cross Link CHEMBL265825
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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Dr. Chen Yuzong

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


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