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canSAR1636569
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NAMES
    SMILES
    CCOC(=O)C1=C(COCCn2c(C)nc3cccnc32)N=C(C)C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
    InChI
    InChI=1S/C31H31ClN6O4/c1-4-42-31(40)28-24(18-41-17-16-38-20(3)36-23-12-9-15-34-29(23)38)35-19(2)26(27(28)21-10-5-6-11-22(21)32)30(39)37-25-13-7-8-14-33-25/h5-15,26-27H,4,16-18H2,1-3H3,(H,33,37,39)
    MOLECULAR FORMULA
    C31H31ClN6O4
    CROSS REFERENCES
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    canSAR1636569

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.21
    AlogP 5.14
    HBond donors 1
    HBond acceptors 10
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1636569.