canSAR1417446
FEATURES
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NAMES
    SMILES
    N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(OCc3ccccc3)nc21
    InChI
    InChI=1S/C22H17N5O2/c23-12-7-13-27-20-18(25-19(21(27)28)17-10-5-2-6-11-17)14-24-22(26-20)29-15-16-8-3-1-4-9-16/h1-6,8-11,14H,7,13,15H2
    MOLECULAR FORMULA
    C22H17N5O2
    CROSS REFERENCES
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    canSAR1417446
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight383.14
    AlogP3.35
    HBond donors0
    HBond acceptors7
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417446.