canSAR1846472
FEATURES
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NAMES
    SMILES
    COCCN=C(S)N1CCC(c2nc(-c3ccc(N(C)C)cc3)no2)CC1
    InChI
    InChI=1S/C19H27N5O2S/c1-23(2)16-6-4-14(5-7-16)17-21-18(26-22-17)15-8-11-24(12-9-15)19(27)20-10-13-25-3/h4-7,15H,8-13H2,1-3H3,(H,20,27)
    MOLECULAR FORMULA
    C19H27N5O2S
    CROSS REFERENCES
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    canSAR1846472
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight389.19
    AlogP2.91
    HBond donors0
    HBond acceptors7
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846472.