CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00149078" 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 CFAMM00149078
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 CHEMBL1255944 External Source CHEMBL
PubChem CID 25102761 Functional Category Bioactive
Molecule Name MLS002153484
IUPAC Name
Synonyms HMS2232N16;SMR001230831;5'-Guanidinonaltrindole di(trifluoroacetate) salt hydrate, hydrochloride
InChi InChI=1S/C27H29N5O3.C2HF3O2/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13;3-2(4,5)1(6)7/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30);(H,6,7)/t20-,24+,26+,27-;/m1./s1
InChiKey WPXURMNJMHNQSI-CLMZAUNVSA-N
Formula C29H30F3N5O5 Molecular Weight 585.57
Cross Link CHEMBL1255944
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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