canSAR1000108
FEATURES
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NAMES
    SMILES
    CC(=O)N(CC1CC1)c1cccc(-n2cnc3c(Cl)nc(C)nc32)c1
    InChI
    InChI=1S/C18H18ClN5O/c1-11-21-17(19)16-18(22-11)24(10-20-16)15-5-3-4-14(8-15)23(12(2)25)9-13-6-7-13/h3-5,8,10,13H,6-7,9H2,1-2H3
    MOLECULAR FORMULA
    C18H18ClN5O
    CROSS REFERENCES
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    canSAR1000108
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight355.12
    AlogP3.54
    HBond donors0
    HBond acceptors6
    Atoms43
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1000108.