Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1206222 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C36H63N9O13
InChI
InChI=1S/C36H63N9O13/c1-2-3-4-5-6-7-8-9-13-22(46)43-20(12-10-15-42-35(38)39)31(52)41-17-11-16-40-24(33(53)54)29(58-34-28(51)25(48)21(19-37)56-34)30-26(49)27(50)32(57-30)45-18-14-23(47)44-36(45)55/h14,18,20-21,24-30,32,34,40,48-51H,2-13,15-17,19,37H2,1H3,(H,41,52)(H,43,46)(H,53,54)(H4,38,39,42)(H,44,47,55)/t20-,21+,24-,25+,26-,27+,28+,29-,30-,32+,34-/m0/s1
Smiles
CCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Cross References
UniChem98078446
canSAR1206222
ChEMBLCHEMBL3288183
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 829.454533076-3.225631522121Yes


Compounds with the same scaffold


Image of compound ID: 1206222
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12