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canSAR504355
FEATURES
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NAMES
    SMILES
    CC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1ccccc1)C2
    InChI
    InChI=1S/C21H29N3O2S/c1-21(2,3)13-20-22-18-15-23(27(25,26)17-7-5-4-6-8-17)12-11-19(18)24(20)14-16-9-10-16/h4-8,16H,9-15H2,1-3H3
    MOLECULAR FORMULA
    C21H29N3O2S
    CROSS REFERENCES
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    canSAR504355

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.20
    AlogP 3.63
    HBond donors 0
    HBond acceptors 5
    Atoms 56
    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 canSAR504355.