dactolisib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 267
Total Number of Articles : 430
PubChem 11977753
Molecular Formula

C30H23N5O

SMILES

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3

synonyms
  • dactolisib
  • 915019-65-7
  • NVP-BEZ235
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Properties
Property Value
MW 469.5 g/mol
HBD 0
HBA 4
Rotatable Bond Count 3
Exact Mass 469.19026037 g/mol
Monoisotopic Mass 469.19026037 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 872
xlogp 5.2
Topological Polar Surface Area 73.1