wz3105

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 42628507
Molecular Formula

C25H34N8O

SMILES

CC(C)N1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N(C)C)NC4=CC(=CC=C4)NC(=O)C=C

InChI

InChI=1S/C25H34N8O/c1-6-21(34)27-18-8-7-9-19(14-18)28-23-22-24(33(15-26-22)16(2)3)31-25(30-23)29-17-10-12-20(13-11-17)32(4)5/h6-9,14-17,20H,1,10-13H2,2-5H3,(H,27,34)(H2,28,29,30,31)

synonyms
  • DprE1-IN-10
  • 1222879-96-0
  • CHEMBL1706473
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Properties
Property Value
MW 462.6 g/mol
HBD 3
HBA 7
Rotatable Bond Count 8
Exact Mass 462.28555774 g/mol
Monoisotopic Mass 462.28555774 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 680
xlogp 4.1
Topological Polar Surface Area 100