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canSAR1020037
FEATURES
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NAMES
    SMILES
    Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccc(CC3SC(=O)NC3=O)cc1)O2
    InChI
    InChI=1S/C25H29NO5S/c1-14-15(2)22-19(16(3)21(14)27)9-10-25(4,31-22)11-12-30-18-7-5-17(6-8-18)13-20-23(28)26-24(29)32-20/h5-8,20,27H,9-13H2,1-4H3,(H,26,28,29)
    MOLECULAR FORMULA
    C25H29NO5S
    CROSS REFERENCES
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    canSAR1020037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.18
    AlogP 4.76
    HBond donors 2
    HBond acceptors 6
    Atoms 61
    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 canSAR1020037.