canSAR2094106
FEATURES
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NAMES
    SMILES
    O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
    InChI
    InChI=1S/C17H18N4O2S/c22-12-6-5-11(17(23)19-10-3-1-7-18-9-10)14-15(12)21-16(20-14)13-4-2-8-24-13/h2,4-6,8,10,18,22H,1,3,7,9H2,(H,19,23)(H,20,21)/t10-/m0/s1
    MOLECULAR FORMULA
    C17H18N4O2S
    CROSS REFERENCES
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    canSAR2094106
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight342.12
    AlogP2.48
    HBond donors4
    HBond acceptors6
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094106.