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canSAR560452
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NAMES
    SMILES
    O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
    InChI
    InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/t23-,25+,30-/m0/s1
    MOLECULAR FORMULA
    C30H27NO5
    CROSS REFERENCES
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    canSAR560452

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.19
    AlogP 6.11
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR560452.