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

993153 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C66H137BN8O22P4
InChI
InChI=1S/C18H28BN4O22P4.4C12H27N/c19-46(32,39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31;4*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31);4*4-12H2,1-3H3/q-1;;;;/p+1/t7-,8-,11-,12-,13-,14-,15-,16-,46?;;;;/m1..../s1
Smiles
CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.[BH3-]P(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Cross References
UniChem27232236
canSAR993153
ChEMBLCHEMBL1950678
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1528.8890949442.37331030238Yes


Compounds with the same scaffold


Image of compound ID: 993153
Murko Scaffold Family: 9 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12