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canSAR1018324
FEATURES
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NAMES
    SMILES
    COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(COCC(=O)O)CC3)c3cccn3-c3ccc(Cl)cc32)c1OC
    InChI
    InChI=1S/C31H35ClN2O7/c1-38-27-7-3-5-22(31(27)39-2)30-23-17-21(32)8-9-24(23)34-14-4-6-25(34)26(41-30)10-11-28(35)33-15-12-20(13-16-33)18-40-19-29(36)37/h3-9,14,17,20,26,30H,10-13,15-16,18-19H2,1-2H3,(H,36,37)/t26-,30-/m1/s1
    MOLECULAR FORMULA
    C31H35ClN2O7
    CROSS REFERENCES
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    canSAR1018324

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.21
    AlogP 5.43
    HBond donors 1
    HBond acceptors 9
    Atoms 76
    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 canSAR1018324.