canSAR2096330
FEATURES
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NAMES
    SMILES
    Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CC(=O)O)C2
    InChI
    InChI=1S/C21H22N6O3S/c1-12(2)30-18-5-4-14(8-15(18)9-22)20-23-24-21(31-20)27-13(3)16-10-26(11-19(28)29)7-6-17(16)25-27/h4-5,8,12H,6-7,10-11H2,1-3H3,(H,28,29)
    MOLECULAR FORMULA
    C21H22N6O3S
    CROSS REFERENCES
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    canSAR2096330
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight438.15
    AlogP2.80
    HBond donors1
    HBond acceptors9
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096330.