canSAR1648994
FEATURES
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NAMES
    SMILES
    Oc1c(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C26H25N5O2S/c32-25-23(34-26-27-24(28-31(25)26)21-12-7-17-33-21)22(20-10-5-2-6-11-20)30-15-13-29(14-16-30)18-19-8-3-1-4-9-19/h1-12,17,22,32H,13-16,18H2
    MOLECULAR FORMULA
    C26H25N5O2S
    CROSS REFERENCES
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    canSAR1648994
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight471.17
    AlogP4.66
    HBond donors1
    HBond acceptors7
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648994.