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canSAR1862940
FEATURES
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NAMES
    SMILES
    Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12
    InChI
    InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-25-16-27(12-13-29(25)34)40-22(4)32(38)39)30-14-11-24(17-28(19)30)31(37)35-20(2)23-9-8-10-26(15-23)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1
    MOLECULAR FORMULA
    C33H37ClN2O4
    CROSS REFERENCES
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    canSAR1862940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.24
    AlogP 7.60
    HBond donors 2
    HBond acceptors 6
    Atoms 77
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1862940.