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canSAR398321
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NAMES
    SMILES
    CC1CCCN(C(=O)C(CCCN=C(N)N)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)C1
    InChI
    InChI=1S/C24H36N6O3S/c1-17-8-7-15-30(16-17)23(31)20(11-6-14-27-24(25)26)28-34(32,33)22-13-5-9-18-19(22)10-4-12-21(18)29(2)3/h4-5,9-10,12-13,17,20,28H,6-8,11,14-16H2,1-3H3,(H4,25,26,27)
    MOLECULAR FORMULA
    C24H36N6O3S
    CROSS REFERENCES
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    canSAR398321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.26
    AlogP 1.86
    HBond donors 5
    HBond acceptors 9
    Atoms 70
    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 canSAR398321.