canSAR1534145
FEATURES
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NAMES
    SMILES
    COc1cccc(N2CCN(C(=O)c3ccc(CSc4nc5ccncc5[nH]4)cc3)CC2)c1
    InChI
    InChI=1S/C25H25N5O2S/c1-32-21-4-2-3-20(15-21)29-11-13-30(14-12-29)24(31)19-7-5-18(6-8-19)17-33-25-27-22-9-10-26-16-23(22)28-25/h2-10,15-16H,11-14,17H2,1H3,(H,27,28)
    MOLECULAR FORMULA
    C25H25N5O2S
    CROSS REFERENCES
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    canSAR1534145
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight459.17
    AlogP4.22
    HBond donors1
    HBond acceptors7
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1534145.