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canSAR1005805
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NAMES
    SMILES
    COC(=O)C1=NN(c2ccccc2)[C@@H]2N1c1ccccc1N1C(C(=O)OC)=NN(c3ccccc3)[C@@]21C
    InChI
    InChI=1S/C27H24N6O4/c1-27-26-30(22(24(34)36-2)28-32(26)18-12-6-4-7-13-18)20-16-10-11-17-21(20)31(27)23(25(35)37-3)29-33(27)19-14-8-5-9-15-19/h4-17,26H,1-3H3/t26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H24N6O4
    CROSS REFERENCES
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    canSAR1005805

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.19
    AlogP 3.37
    HBond donors 0
    HBond acceptors 10
    Atoms 61
    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 canSAR1005805.