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canSAR1969434
FEATURES
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NAMES
    SMILES
    O=C1C=C2S[C@H]3C[C@]24c2c(c(O)c5[nH]cc6c5c2[N+](=C1[C@@H]4O)CC6)N3
    InChI
    InChI=1S/C18H13N3O3S/c22-7-3-8-18-4-9(25-8)20-13-11(18)15-10-6(5-19-12(10)16(13)23)1-2-21(15)14(7)17(18)24/h3,5,9,17,24H,1-2,4H2,(H2,19,20,22,23)/p+1/t9?,17-,18+/m0/s1
    MOLECULAR FORMULA
    C18H14N3O3S+
    CROSS REFERENCES
    1969434 logo

    canSAR1969434

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.08
    AlogP 1.48
    HBond donors 4
    HBond acceptors 6
    Atoms 39
    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 canSAR1969434.