CFam Chemical Families Database
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You are searching for "CFAMM00115216" in compound.

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CFAM Mol ID CFAMM00115216
Family CFFAD966 Nalfurafine Hcl family
Superfamily CFSAD816 Nalfurafine Hcl Superfamily
Class CFCAD66 Class 66
External ID CHEMBL267413 External Source CHEMBL
PubChem CID 44297764 Functional Category Bioactive
Molecule Name N,N'-bis[2-[[2-[[2-[[(4aS,7S,7aR)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
IUPAC Name N,N'-bis[2-[[2-[[2-[[(4aS,7S,7aR)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
Synonyms CHEBI:182674
InChi InChI=1S/C50H64N10O14/c1-59-15-13-47-41-25-3-5-29(61)43(41)73-45(47)27(9-11-49(47,71)31(59)17-25)57-39(69)23-55-37(67)21-53-35(65)19-51-33(63)7-8-34(64)52-20-36(66)54-22-38(68)56-24-40(70)58-28-10-12-50(72)32-18-26-4-6-30(62)44-42(26)48(50,46(28)74-44)14-16-60(32)2/h3-6,27-28,31-32,45-46,61-62,71-72H,7-24H2,1-2H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)(H,58,70)/t27-,28-,31?,32?,45-,46-,47?,48?,49+,50+/m0/s1
InChiKey MJOCGEXOFUSVFI-JQLOKMQHSA-N
Formula C50H64N10O14 Molecular Weight 1029.10
Cross Link CHEMBL267413
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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