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canSAR465737
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NAMES
    SMILES
    CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(CCNC(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1
    InChI
    InChI=1S/C35H34ClN3O3S/c1-22-18-29-32(42-21-28-13-10-26(19-38-28)25-6-4-3-5-7-25)15-14-30-33(29)34(43-22)31(16-17-37-23(2)35(40)41)39(30)20-24-8-11-27(36)12-9-24/h3-15,19,22-23,37H,16-18,20-21H2,1-2H3,(H,40,41)
    MOLECULAR FORMULA
    C35H34ClN3O3S
    CROSS REFERENCES
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    canSAR465737

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.20
    AlogP 7.63
    HBond donors 2
    HBond acceptors 6
    Atoms 77
    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 canSAR465737.