CFam Chemical Families Database
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You are searching for "CFAMM00303691" in compound.

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CFAM Mol ID CFAMM00303691
Family CFFID4178 Somatostatin receptor type 1 and Somatostatin receptor type 2 Ligand Cytotoxinpeptide Conjugate Family
Superfamily CFSAD806 ostatin receptor 5 Ligand Pasireotide Diaspartate Superfamily
Class CFCAD546 Class 546
External ID CHEMBL265525 External Source CHEMBL
PubChem CID 44303660 Functional Category Bioactive
Molecule Name (4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name (4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Synonyms CHEBI:196275
InChi InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/t27-,28-,34-,36+,37+,38-,39-,40+,41-,42-/m1/s1
InChiKey LHCIROHUTQLZCZ-QZQWMJDASA-N
Formula C49H66N10O11S2 Molecular Weight 1035.24
Cross Link CHEMBL265525
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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