canSAR7302
FEATURES
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NAMES
    SMILES
    Cn1c(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O
    InChI
    InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-15-13-30(14-16-31)11-5-6-12-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
    MOLECULAR FORMULA
    C27H31N5O4S
    CROSS REFERENCES
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    canSAR7302
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.21
    AlogP2.99
    HBond donors1
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR7302.