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canSAR784586
FEATURES
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NAMES
    SMILES
    C=CCCN1C[C@H](OC)[C@@H](C)O[C@@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)C1
    InChI
    InChI=1S/C31H47NO6/c1-7-8-11-32-15-26(36-6)21(5)38-27(16-32)37-18-30-14-23-20(4)9-10-24(23)29(17-33)13-22(30)12-25(19(2)3)31(29,30)28(34)35/h7,12,17,19-24,26-27H,1,8-11,13-16,18H2,2-6H3,(H,34,35)/t20-,21-,22?,23-,24-,26+,27-,29?,30?,31?/m1/s1
    MOLECULAR FORMULA
    C31H47NO6
    CROSS REFERENCES
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    canSAR784586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.34
    AlogP 4.57
    HBond donors 1
    HBond acceptors 7
    Atoms 85
    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 canSAR784586.