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canSAR918453
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](Cl)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
    InChI
    InChI=1S/C34H49ClO7/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28+,29+,30+,31+,33+,34+/m0/s1
    MOLECULAR FORMULA
    C34H49ClO7
    CROSS REFERENCES
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    canSAR918453

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 604.32
    AlogP 5.78
    HBond donors 2
    HBond acceptors 7
    Atoms 91
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR918453.