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

1232310 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C32H55N9O13
InChI
InChI=1S/C32H55N9O13/c33-16-17-22(45)25(48)30(52-17)54-26(27-23(46)24(47)28(53-27)41-15-10-20(44)40-32(41)51)21(29(49)50)38-14-7-13-37-19(43)9-3-1-5-11-36-18(42)8-4-2-6-12-39-31(34)35/h10,15,17,21-28,30,38,45-48H,1-9,11-14,16,33H2,(H,36,42)(H,37,43)(H,49,50)(H4,34,35,39)(H,40,44,51)/t17-,21+,22-,23+,24-,25-,26+,27+,28-,30+/m1/s1
Smiles
N=C(N)NCCCCCC(=O)NCCCCCC(=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
UniChem98078443
canSAR1232310
ChEMBLCHEMBL3288180
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 773.39193282-4.784431522109No


Compounds with the same scaffold


Image of compound ID: 1232310
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12