cdb

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 52
Total Number of Articles : 29
PubChem 447221
Molecular Formula

C21H21F3N6O2

SMILES

CC1=C(C(=NC=C1)CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=N3)(F)F)C)F

InChI

InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)

synonyms
  • CHEMBL143824
  • 2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
  • 1mu8
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Properties
Property Value
MW 446.4 g/mol
HBD 2
HBA 8
Rotatable Bond Count 8
Exact Mass 446.16780842 g/mol
Monoisotopic Mass 446.16780842 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 760
xlogp 1
Topological Polar Surface Area 99.6