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canSAR78230
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NAMES
    SMILES
    CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CSCCC(=O)O)n3Cc2ccc(Cl)cc2)S1
    InChI
    InChI=1S/C34H31ClN2O3S2/c1-22-17-28-31(40-20-27-12-9-25(18-36-27)24-5-3-2-4-6-24)14-13-29-33(28)34(42-22)30(21-41-16-15-32(38)39)37(29)19-23-7-10-26(35)11-8-23/h2-14,18,22H,15-17,19-21H2,1H3,(H,38,39)
    MOLECULAR FORMULA
    C34H31ClN2O3S2
    CROSS REFERENCES
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    canSAR78230

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.15
    AlogP 8.73
    HBond donors 1
    HBond acceptors 5
    Atoms 73
    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 canSAR78230.