canSAR1086383
FEATURES
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NAMES
    SMILES
    Cc1c(C(=O)Nc2ccc(N3CC[C@H](COc4cccc(C(=O)O)c4)C3)nc2)oc2ccc(-c3ccccc3)cc12
    InChI
    InChI=1S/C33H29N3O5/c1-21-28-17-24(23-6-3-2-4-7-23)10-12-29(28)41-31(21)32(37)35-26-11-13-30(34-18-26)36-15-14-22(19-36)20-40-27-9-5-8-25(16-27)33(38)39/h2-13,16-18,22H,14-15,19-20H2,1H3,(H,35,37)(H,38,39)/t22-/m0/s1
    MOLECULAR FORMULA
    C33H29N3O5
    CROSS REFERENCES
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    canSAR1086383
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight547.21
    AlogP6.66
    HBond donors2
    HBond acceptors8
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086383.