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canSAR783422
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NAMES
    SMILES
    C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(Cl)s4)cn3)[C@H]12
    InChI
    InChI=1S/C24H26ClNO2S/c1-14-23-19(18-5-3-2-4-15(18)12-20(23)24(27)28-14)9-8-17-7-6-16(13-26-17)21-10-11-22(25)29-21/h6-11,13-15,18-20,23H,2-5,12H2,1H3/b9-8+/t14-,15+,18-,19+,20-,23+/m1/s1
    MOLECULAR FORMULA
    C24H26ClNO2S
    CROSS REFERENCES
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    canSAR783422

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.14
    AlogP 6.48
    HBond donors 0
    HBond acceptors 3
    Atoms 55
    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 canSAR783422.