canSAR2198390
FEATURES
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NAMES
    SMILES
    NC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4cccc(Cl)c4)CC1)C(C3)C2
    InChI
    InChI=1S/C21H26ClN3O4S/c22-15-2-1-3-16(8-15)30(28,29)25-21(4-5-21)19(27)24-17-13-6-12-7-14(17)11-20(9-12,10-13)18(23)26/h1-3,8,12-14,17,25H,4-7,9-11H2,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,20?
    MOLECULAR FORMULA
    C21H26ClN3O4S
    CROSS REFERENCES
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    canSAR2198390
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.13
    AlogP1.95
    HBond donors4
    HBond acceptors7
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2198390.