nutlin 2

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 5
PubChem 17754046
Molecular Formula

C31H34Br2N4O4

SMILES

CCOC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC3)CCO)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H34Br2N4O4/c1-3-41-27-20-25(40-2)12-13-26(27)30-34-28(21-4-8-23(32)9-5-21)29(22-6-10-24(33)11-7-22)37(30)31(39)36-16-14-35(15-17-36)18-19-38/h4-13,20,28-29,38H,3,14-19H2,1-2H3/t28-,29+/m1/s1

synonyms
  • Nutlin-2
  • 548472-76-0
  • cis-[4,5-Bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
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Properties
Property Value
MW 686.4 g/mol
HBD 1
HBA 6
Rotatable Bond Count 8
Exact Mass 686.09263 g/mol
Monoisotopic Mass 684.09468 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 872
xlogp 4.9
Topological Polar Surface Area 77.8