canSAR2080108
FEATURES
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NAMES
    SMILES
    Cc1nc(N[C@@H](C)c2cncc(-c3cnc(Cl)c(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1
    InChI
    InChI=1S/C26H23ClN6O/c1-14-13-34-24-5-4-17(7-21(14)24)23-9-25(33-16(3)32-23)31-15(2)18-6-19(11-29-10-18)20-8-22(28)26(27)30-12-20/h4-13,15H,28H2,1-3H3,(H,31,32,33)/t15-/m0/s1
    MOLECULAR FORMULA
    C26H23ClN6O
    CROSS REFERENCES
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    canSAR2080108
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight470.16
    AlogP6.37
    HBond donors3
    HBond acceptors7
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080108.