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canSAR790864
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NAMES
    SMILES
    COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(SC)cc3)C[C@H]1C=N2
    InChI
    InChI=1S/C21H20N2O3S/c1-25-19-9-17-18(10-20(19)26-2)22-11-15-8-14(12-23(15)21(17)24)13-4-6-16(27-3)7-5-13/h4-7,9-12,15H,8H2,1-3H3/t15-/m0/s1
    MOLECULAR FORMULA
    C21H20N2O3S
    CROSS REFERENCES
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    canSAR790864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.12
    AlogP 4.40
    HBond donors 0
    HBond acceptors 5
    Atoms 47
    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 canSAR790864.