CFam Chemical Families Database
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You are searching for "CFAMM00149182" in compound.

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CFAM Mol ID CFAMM00149182
Family CFFCD299 Tumor necrosis factor receptor superfamily member 5 Ligand Dacetuzumab Family
Superfamily CFSCD275 Tumor necrosis factor receptor superfamily member 5 Ligand Dacetuzumab Superfamily
Class CFCCD205 Class 1018
External ID CHEMBL1824516 External Source CHEMBL
PubChem CID 56665406 Functional Category Bioactive
Molecule Name N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-2-pyridin-4-ylacetamide;hydrochloride
IUPAC Name N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-2-pyridin-4-ylacetamide;hydrochloride
Synonyms
InChi InChI=1S/C27H31N3O4.ClH/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17;/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32);1H/t19-,21-,25+,26+,27-;/m1./s1
InChiKey MKBMLMVJNQPFKC-NCFDXLCNSA-N
Formula C27H32ClN3O4 Molecular Weight 498.01
Cross Link CHEMBL1824516
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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