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canSAR1591998
FEATURES
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NAMES
    SMILES
    COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO3)c1
    InChI
    InChI=1S/C25H34N4O5/c1-16-13-26-17(2)15-34-22-10-9-19(12-21(22)24(30)29(3)14-23(16)33-5)28-25(31)27-18-7-6-8-20(11-18)32-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H2,27,28,31)/t16-,17+,23-/m1/s1
    MOLECULAR FORMULA
    C25H34N4O5
    CROSS REFERENCES
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    canSAR1591998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.25
    AlogP 3.43
    HBond donors 3
    HBond acceptors 9
    Atoms 68
    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 canSAR1591998.