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canSAR1014246
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NAMES
    SMILES
    COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CNC(=O)c4cnccn4)N3[C@@H](C#N)[C@H](C2)N1C
    InChI
    InChI=1S/C31H30N6O7/c1-13-25(38)15-9-19-24-23-16(26(39)14(2)30(44-5)28(23)41)8-18(36(24)3)20(10-32)37(19)21(22(15)27(40)29(13)43-4)12-35-31(42)17-11-33-6-7-34-17/h6-7,11,18-21,24H,8-9,12H2,1-5H3,(H,35,42)/t18-,19-,20-,21-,24-/m0/s1
    MOLECULAR FORMULA
    C31H30N6O7
    CROSS REFERENCES
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    canSAR1014246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.22
    AlogP 0.37
    HBond donors 1
    HBond acceptors 13
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1014246.