684
FEATURES
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NAMES
  • 684
SMILES
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCCCC(=O)O)ccc43)cnc2n1
InChI
InChI=1S/C25H23N7O3/c26-23-22-24(31-25(27)30-23)28-13-17(29-22)14-32-19-5-2-1-4-15(19)7-8-16-12-18(9-10-20(16)32)35-11-3-6-21(33)34/h1-2,4-5,7-10,12-13H,3,6,11,14H2,(H,33,34)(H4,26,27,28,30,31)
MOLECULAR FORMULA
C25H23N7O3
CROSS REFERENCES
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684
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight469.19
AlogP3.65
HBond donors5
HBond acceptors10
Atoms58
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 684.