canSAR1649412
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)N=C(C)C(C(=O)Nc2ccccn2)C1c1cccnc1Cl
    InChI
    InChI=1S/C33H28ClN7O3/c1-4-44-33(43)29-28(23-8-7-16-37-31(23)34)27(32(42)40-26-9-5-6-15-36-26)19(2)38-30(29)21-10-12-22(13-11-21)41-20(3)39-24-18-35-17-14-25(24)41/h5-18,27-28H,4H2,1-3H3,(H,36,40,42)
    MOLECULAR FORMULA
    C33H28ClN7O3
    CROSS REFERENCES
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    canSAR1649412
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight605.19
    AlogP5.96
    HBond donors1
    HBond acceptors10
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649412.