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canSAR1428066
FEATURES
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NAMES
    SMILES
    COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(C)C(=O)C3[C@@](O)(C(=O)OC)C(=O)N2C1c1ccccc1
    InChI
    InChI=1S/C29H27N3O8/c1-16-19(26(35)39-3)22(18-13-9-6-10-14-18)32-23(31(16)15-17-11-7-5-8-12-17)20-21(25(34)30(2)24(20)33)29(38,27(32)36)28(37)40-4/h5-14,21-22,38H,15H2,1-4H3/t21?,22?,29-/m0/s1
    MOLECULAR FORMULA
    C29H27N3O8
    CROSS REFERENCES
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    canSAR1428066

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.18
    AlogP 1.26
    HBond donors 1
    HBond acceptors 11
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1428066.