ABT-737

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 162
Total Number of Articles : 345
PubChem 11228183
Molecular Formula

C42H45ClN6O5S2

SMILES

CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1

synonyms
  • ABT-737
  • 852808-04-9
  • ABT 737
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Properties
Property Value
MW 813.4 g/mol
HBD 2
HBA 10
Rotatable Bond Count 15
Exact Mass 812.2581386 g/mol
Monoisotopic Mass 812.2581386 g/mol
Heavy Atom Count 56
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 1320
xlogp 9
Topological Polar Surface Area 165