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canSAR787449
FEATURES
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NAMES
    SMILES
    CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c([S+](C)[O-])c(c34)C[C@H]21
    InChI
    InChI=1S/C26H31N5O2S/c1-29-16-17(26(32)31-12-10-30(11-13-31)23-8-3-4-9-27-23)14-19-18-6-5-7-21-24(18)20(15-22(19)29)25(28-21)34(2)33/h3-9,17,19,22,28H,10-16H2,1-2H3/t17-,19-,22-,34?/m1/s1
    MOLECULAR FORMULA
    C26H31N5O2S
    CROSS REFERENCES
    787449 logo

    canSAR787449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.22
    AlogP 2.61
    HBond donors 1
    HBond acceptors 7
    Atoms 65
    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 canSAR787449.