CFam Chemical Families Database
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You are searching for "CFAMM00008313" in compound.

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CFAM Mol ID CFAMM00008313
Family CFFAD48 DNA binder anthracycline analog Doxorubicin family
Superfamily CFSAD47 Binder Superfamily
Class CFCAD47 Class 47
External ID CHEMBL2159398 External Source CHEMBL
PubChem CID 71458639 Functional Category Bioactive
Molecule Name 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]hexanamide
IUPAC Name 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]hexanamide
Synonyms
InChi InChI=1S/C43H54N4O14S/c1-20-37(52)23(45-30(51)13-4-3-7-14-44-29(50)12-6-5-11-27-36-24(19-62-27)46-42(57)47-36)15-31(60-20)61-26-17-43(58,28(49)18-48)16-22-33(26)41(56)35-34(39(22)54)38(53)21-9-8-10-25(59-2)32(21)40(35)55/h8-10,20,23-24,26-27,31,36-37,48,52,54,56,58H,3-7,11-19H2,1-2H3,(H,44,50)(H,45,51)(H2,46,47,57)/t20-,23-,24-,26-,27-,31-,36-,37+,43-/m0/s1
InChiKey VXJQPWWYOFTBRP-IBUXXMJSSA-N
Formula C43H54N4O14S Molecular Weight 882.97
Cross Link CHEMBL2159398
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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National University of Singapore, Singapore


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