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canSAR645821
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NAMES
    SMILES
    Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1
    InChI
    InChI=1S/C36H40N6/c1-23-21-25(3)39-35-31(23)33(37)27-15-9-11-17-29(27)41(35)19-13-7-5-6-8-14-20-42-30-18-12-10-16-28(30)34(38)32-24(2)22-26(4)40-36(32)42/h9-12,15-18,21-22,37-38H,5-8,13-14,19-20H2,1-4H3
    MOLECULAR FORMULA
    C36H40N6
    CROSS REFERENCES
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    canSAR645821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.33
    AlogP 7.93
    HBond donors 2
    HBond acceptors 6
    Atoms 82
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645821.