canSAR826135
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)c(Cc1nc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cs1)c(C)n2C(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C31H31ClN2O2S/c1-18-25(13-29-33-28(17-37-29)31-14-19-9-20(15-31)11-21(10-19)16-31)26-12-24(36-2)7-8-27(26)34(18)30(35)22-3-5-23(32)6-4-22/h3-8,12,17,19-21H,9-11,13-16H2,1-2H3/t19-,20+,21-,31?
    MOLECULAR FORMULA
    C31H31ClN2O2S
    CROSS REFERENCES
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    canSAR826135
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight530.18
    AlogP7.82
    HBond donors0
    HBond acceptors4
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR826135.