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canSAR2263114
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NAMES
    SMILES
    COc1ccc2[n-]c([S@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
    InChI
    InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1/t24-;/m1./s1
    MOLECULAR FORMULA
    C17H18N3NaO3S
    CROSS REFERENCES
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    canSAR2263114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.10
    AlogP -0.47
    HBond donors 0
    HBond acceptors 6
    Atoms 43
    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 canSAR2263114.