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canSAR1018289
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NAMES
    SMILES
    Cc1ccc([C@@H](C)Nc2nc(C)c(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1
    InChI
    InChI=1S/C26H30N6O3S/c1-13-4-6-16(7-5-13)14(2)28-26-29-15(3)21(25-31-19-11-27-9-8-20(19)36-25)24(32-26)30-18-10-17(12-33)22(34)23(18)35/h4-9,11,14,17-18,22-23,33-35H,10,12H2,1-3H3,(H2,28,29,30,32)/t14-,17-,18-,22-,23+/m1/s1
    MOLECULAR FORMULA
    C26H30N6O3S
    CROSS REFERENCES
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    canSAR1018289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.21
    AlogP 3.45
    HBond donors 5
    HBond acceptors 9
    Atoms 66
    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 canSAR1018289.