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

1219104 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C32H55N9O13
InChI
InChI=1S/C32H55N9O13/c1-15(2)6-3-8-18(42)39-16(7-4-10-38-31(34)35)27(48)37-12-5-11-36-20(29(49)50)25(54-30-24(47)21(44)17(14-33)52-30)26-22(45)23(46)28(53-26)41-13-9-19(43)40-32(41)51/h9,13,15-17,20-26,28,30,36,44-47H,3-8,10-12,14,33H2,1-2H3,(H,37,48)(H,39,42)(H,49,50)(H4,34,35,38)(H,40,43,51)/t16-,17+,20-,21+,22-,23+,24+,25-,26-,28+,30-/m0/s1
Smiles
CC(C)CCCC(=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
UniChem98078445
canSAR1219104
ChEMBLCHEMBL3288182
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 773.39193282-4.930131522109No


Compounds with the same scaffold


Image of compound ID: 1219104
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12