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canSAR1592098
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NAMES
    SMILES
    COc1ccc(-c2cc3ncccc3c(OC(CC(C)C)[C@H]3CNC(=O)C3)n2)cc1OC
    InChI
    InChI=1S/C25H29N3O4/c1-15(2)10-22(17-12-24(29)27-14-17)32-25-18-6-5-9-26-20(18)13-19(28-25)16-7-8-21(30-3)23(11-16)31-4/h5-9,11,13,15,17,22H,10,12,14H2,1-4H3,(H,27,29)/t17-,22?/m1/s1
    MOLECULAR FORMULA
    C25H29N3O4
    CROSS REFERENCES
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    canSAR1592098

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.22
    AlogP 4.24
    HBond donors 1
    HBond acceptors 7
    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 canSAR1592098.