BP-1-102

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 32
Total Number of Articles : 19
PubChem 53388144
Molecular Formula

C29H27F5N2O6S

SMILES

CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40)

synonyms
  • BP-1-102
  • 1334493-07-0
  • 4-(N-(4-cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-methylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid
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Properties
Property Value
MW 626.6 g/mol
HBD 2
HBA 12
Rotatable Bond Count 9
Exact Mass 626.15099857 g/mol
Monoisotopic Mass 626.15099857 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1050
xlogp 6.4
Topological Polar Surface Area 124