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canSAR1146769
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NAMES
    SMILES
    Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1
    InChI
    InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28+/m1/s1
    MOLECULAR FORMULA
    C31H44N6O2
    CROSS REFERENCES
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    canSAR1146769

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.35
    AlogP 4.88
    HBond donors 1
    HBond acceptors 8
    Atoms 83
    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 canSAR1146769.