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canSAR1156964
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NAMES
    SMILES
    COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1nccs1)CC2
    InChI
    InChI=1S/C24H24ClN3O5S2/c1-30-17-8-6-12-14(11-16(17)29)15(27-23(34)28-24-26-9-10-35-24)7-5-13-18(12)20(31-2)22(33-4)21(32-3)19(13)25/h6,8-11,15H,5,7H2,1-4H3,(H2,26,27,28,34)/t15-/m0/s1
    MOLECULAR FORMULA
    C24H24ClN3O5S2
    CROSS REFERENCES
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    canSAR1156964

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.08
    AlogP 4.83
    HBond donors 2
    HBond acceptors 8
    Atoms 59
    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 canSAR1156964.