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

1214321 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C36H64N6O12
InChI
InChI=1S/C36H64N6O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(38)32(48)40-19-15-18-39-25(34(49)50)30(54-35-29(47)26(44)23(21-37)52-35)31-27(45)28(46)33(53-31)42-20-17-24(43)41-36(42)51/h17,20,22-23,25-31,33,35,39,44-47H,2-16,18-19,21,37-38H2,1H3,(H,40,48)(H,49,50)(H,41,43,51)/t22-,23+,25-,26+,27-,28+,29+,30-,31-,33+,35-/m0/s1
Smiles
CCCCCCCCCCCCCCC[C@H](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
UniChem98078434
canSAR1214321
ChEMBLCHEMBL3288171
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 772.458221488-0.695899999999991218118Yes


Compounds with the same scaffold


Image of compound ID: 1214321
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12