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canSAR778332
FEATURES
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NAMES
    SMILES
    C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(OCCNC(=O)OC(C)(C)C)ccc4n3)[C@H]12
    InChI
    InChI=1S/C31H40N2O5/c1-19-28-25(24-8-6-5-7-20(24)18-26(28)29(34)37-19)13-11-22-10-9-21-17-23(12-14-27(21)33-22)36-16-15-32-30(35)38-31(2,3)4/h9-14,17,19-20,24-26,28H,5-8,15-16,18H2,1-4H3,(H,32,35)/b13-11+/t19-,20+,24-,25+,26-,28+/m1/s1
    MOLECULAR FORMULA
    C31H40N2O5
    CROSS REFERENCES
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    canSAR778332

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.29
    AlogP 6.16
    HBond donors 1
    HBond acceptors 7
    Atoms 78
    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 canSAR778332.