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canSAR643122
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NAMES
    SMILES
    Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1
    InChI
    InChI=1S/C34H36N6/c1-21-19-23(3)37-33-29(21)31(35)25-13-7-9-15-27(25)39(33)17-11-5-6-12-18-40-28-16-10-8-14-26(28)32(36)30-22(2)20-24(4)38-34(30)40/h7-10,13-16,19-20,35-36H,5-6,11-12,17-18H2,1-4H3
    MOLECULAR FORMULA
    C34H36N6
    CROSS REFERENCES
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    canSAR643122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.30
    AlogP 7.15
    HBond donors 2
    HBond acceptors 6
    Atoms 76
    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 canSAR643122.