navitoclax

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 85
Total Number of Articles : 170
PubChem 24978538
Molecular Formula

C47H55ClF3N5O6S3

SMILES

CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

InChI

InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1

synonyms
  • Navitoclax
  • 923564-51-6
  • ABT-263
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Properties
Property Value
MW 974.6 g/mol
HBD 2
HBA 14
Rotatable Bond Count 16
Exact Mass 973.2955102 g/mol
Monoisotopic Mass 973.2955102 g/mol
Heavy Atom Count 65
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 1800
xlogp 9.6
Topological Polar Surface Area 170