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canSAR785468
FEATURES
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NAMES
    SMILES
    C[C@H]1C(S[C@@H]2CCO[C@@H]2CNC(=O)[C@@H](N)Cc2ccccc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)C12
    InChI
    InChI=1S/C24H31N3O6S/c1-12-19-18(13(2)28)23(30)27(19)20(24(31)32)21(12)34-17-8-9-33-16(17)11-26-22(29)15(25)10-14-6-4-3-5-7-14/h3-7,12-13,15-19,28H,8-11,25H2,1-2H3,(H,26,29)(H,31,32)/t12-,13-,15+,16-,17-,18-,19?/m1/s1
    MOLECULAR FORMULA
    C24H31N3O6S
    CROSS REFERENCES
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    canSAR785468

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.19
    AlogP 0.72
    HBond donors 5
    HBond acceptors 9
    Atoms 65
    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 canSAR785468.