BI 6727

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 52
Total Number of Articles : 87
PubChem 10461508
Molecular Formula

C34H50N8O3

SMILES

CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C

InChI

InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25?,26?,28-/m1/s1

synonyms
  • Volasertib
  • 755038-65-4
  • BI 6727
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Properties
Property Value
MW 618.8 g/mol
HBD 2
HBA 9
Rotatable Bond Count 10
Exact Mass 618.40058749 g/mol
Monoisotopic Mass 618.40058749 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 996
xlogp 4.6
Topological Polar Surface Area 106