canSAR1706463
FEATURES
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NAMES
    SMILES
    COc1ccc(C(C(=O)NCC2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(NC(C)=O)cc2)cc1OC
    InChI
    InChI=1S/C30H34N4O7S/c1-19(35)33-21-9-11-22(12-10-21)34(27(36)18-32-29(37)26-7-5-15-42-26)28(30(38)31-17-23-6-4-14-41-23)20-8-13-24(39-2)25(16-20)40-3/h5,7-13,15-16,23,28H,4,6,14,17-18H2,1-3H3,(H,31,38)(H,32,37)(H,33,35)
    MOLECULAR FORMULA
    C30H34N4O7S
    CROSS REFERENCES
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    canSAR1706463
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight594.21
    AlogP3.52
    HBond donors3
    HBond acceptors11
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1706463.