KCC 009

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 8
PubChem 644312
Molecular Formula

C21H22BrN3O5

SMILES

C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O5/c22-19-11-17(30-25-19)12-23-20(27)18(10-14-6-8-16(26)9-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-9,17-18,26H,10-13H2,(H,23,27)(H,24,28)/t17?,18-/m0/s1

synonyms
  • KCC009
  • 744198-19-4
  • KCC 009
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Properties
Property Value
MW 476.3 g/mol
HBD 3
HBA 6
Rotatable Bond Count 9
Exact Mass 475.07428 g/mol
Monoisotopic Mass 475.07428 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 603
xlogp 3.2
Topological Polar Surface Area 109