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canSAR784216
FEATURES
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NAMES
    SMILES
    COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccccc43)C23C(=O)c2ccccc2C3=O)cc1OC
    InChI
    InChI=1S/C29H24N2O5S/c1-35-22-12-11-16(13-23(22)36-2)24-21-14-37-15-31(21)29(19-9-5-6-10-20(19)30-27(29)34)28(24)25(32)17-7-3-4-8-18(17)26(28)33/h3-13,21,24H,14-15H2,1-2H3,(H,30,34)/t21-,24-,29-/m0/s1
    MOLECULAR FORMULA
    C29H24N2O5S
    CROSS REFERENCES
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    canSAR784216

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.14
    AlogP 4.09
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784216.