canSAR2170104
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3cccc(-c4ccc(Cl)cc4)c3)n2)CC1
    InChI
    InChI=1S/C28H31ClN6O3/c1-27(2,3)38-26(37)34-15-12-28(11-14-30,13-16-34)35-18-23(24(31)36)25(33-35)32-22-6-4-5-20(17-22)19-7-9-21(29)10-8-19/h4-10,17-18H,11-13,15-16H2,1-3H3,(H2,31,36)(H,32,33)
    MOLECULAR FORMULA
    C28H31ClN6O3
    CROSS REFERENCES
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    canSAR2170104
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight534.21
    AlogP5.69
    HBond donors3
    HBond acceptors9
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2170104.