canSAR289596
FEATURES
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NAMES
    SMILES
    Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)C(C2)N(CC2CC2)CCC314
    InChI
    InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1
    MOLECULAR FORMULA
    C34H31N3O3S
    CROSS REFERENCES
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    canSAR289596
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight561.21
    AlogP5.83
    HBond donors2
    HBond acceptors6
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR289596.