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canSAR784123
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NAMES
    SMILES
    O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1
    InChI
    InChI=1S/C19H22N4O2S/c24-18(17-5-3-7-25-17)23-9-13-12(14(13)10-23)8-21-19-22-16(11-26-19)15-4-1-2-6-20-15/h1-2,4,6,11-14,17H,3,5,7-10H2,(H,21,22)/t12-,13+,14-,17?
    MOLECULAR FORMULA
    C19H22N4O2S
    CROSS REFERENCES
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    canSAR784123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.15
    AlogP 2.50
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    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 canSAR784123.