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canSAR385410
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NAMES
    SMILES
    Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
    InChI
    InChI=1S/C24H25N5O2S/c25-23-18-11-3-4-12-19(18)26-24(28-23)27-20-13-5-6-14-21(20)29-32(30,31)22-15-7-9-16-8-1-2-10-17(16)22/h1-4,7-12,15,20-21,29H,5-6,13-14H2,(H3,25,26,27,28)/t20-,21+/m0/s1
    MOLECULAR FORMULA
    C24H25N5O2S
    CROSS REFERENCES
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    canSAR385410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.17
    AlogP 4.07
    HBond donors 4
    HBond acceptors 7
    Atoms 57
    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 canSAR385410.