canSAR857462
FEATURES
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NAMES
    SMILES
    C[n+]1cccc(C(=O)NCC(OC(=O)C2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c2ccccc2)c1
    InChI
    InChI=1S/C31H32N4O5S/c1-31(2)26(35-28(38)25(29(35)41-31)33-24(36)17-20-11-6-4-7-12-20)30(39)40-23(21-13-8-5-9-14-21)18-32-27(37)22-15-10-16-34(3)19-22/h4-16,19,23,25-26,29H,17-18H2,1-3H3,(H-,32,33,36,37)/p+1/t23?,25-,26?,29-/m1/s1
    MOLECULAR FORMULA
    C31H33N4O5S+
    CROSS REFERENCES
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    canSAR857462
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight573.22
    AlogP2.32
    HBond donors2
    HBond acceptors9
    Atoms74
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857462.