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canSAR1018958
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NAMES
    SMILES
    Cc1nc(N[C@H](C)c2ccccc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1
    InChI
    InChI=1S/C25H28N6O3S/c1-13(15-6-4-3-5-7-15)27-25-28-14(2)20(24-30-18-11-26-9-8-19(18)35-24)23(31-25)29-17-10-16(12-32)21(33)22(17)34/h3-9,11,13,16-17,21-22,32-34H,10,12H2,1-2H3,(H2,27,28,29,31)/t13-,16-,17-,21-,22+/m1/s1
    MOLECULAR FORMULA
    C25H28N6O3S
    CROSS REFERENCES
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    canSAR1018958

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.19
    AlogP 3.14
    HBond donors 5
    HBond acceptors 9
    Atoms 63
    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 canSAR1018958.