CFam Chemical Families Database
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You are searching for "CFAMM00249704" in compound.

Total 1 results found.

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 CFAMM00249704
Family CFFID1763 Vascular endothelial growth factor receptor 1 Ligand Lycogarubin B Family
Superfamily CFSAD259 5-hydroxytryptamine receptor 3A Ligand Dolasetron Superfamily
Class CFCAD247 Class 247
External ID CHEMBL21892 External Source CHEMBL
PubChem CID 44274486 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[6-(diaminomethylideneamino)hexyl]-7-[5-(diaminomethylideneamino)pentoxy]-1H-indole-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[6-(diaminomethylideneamino)hexyl]-7-[5-(diaminomethylideneamino)pentoxy]-1H-indole-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:126707
InChi InChI=1S/C45H67N11O6.C2HF3O2/c1-5-28(4)37(41(58)54-35(43(60)61)24-27(2)3)56-40(57)34(25-29-26-52-33-19-11-10-16-30(29)33)53-42(59)39-32(17-9-6-7-12-21-50-44(46)47)31-18-15-20-36(38(31)55-39)62-23-14-8-13-22-51-45(48)49;3-2(4,5)1(6)7/h10-11,15-16,18-20,26-28,34-35,37,52,55H,5-9,12-14,17,21-25H2,1-4H3,(H,53,59)(H,54,58)(H,56,57)(H,60,61)(H4,46,47,50)(H4,48,49,51);(H,6,7)/t28-,34-,35-,37-;/m0./s1
InChiKey NQHNXHWDSCZUAP-SMAFADSGSA-N
Formula C47H68F3N11O8 Molecular Weight 972.11
Cross Link CHEMBL21892
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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