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canSAR1014167
FEATURES
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NAMES
    SMILES
    COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2cccc3ccccc23)=C/C(=N\O)C[C@H]1C
    InChI
    InChI=1S/C27H24ClNO6/c1-15-11-18(29-31)12-22(34-14-17-9-6-8-16-7-4-5-10-19(16)17)27(15)26(30)23-20(32-2)13-21(33-3)24(28)25(23)35-27/h4-10,12-13,15,31H,11,14H2,1-3H3/b29-18-/t15-,27+/m1/s1
    MOLECULAR FORMULA
    C27H24ClNO6
    CROSS REFERENCES
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    canSAR1014167

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.13
    AlogP 5.79
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR1014167.