canSAR2096505
FEATURES
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NAMES
    SMILES
    COC(C)(C)[C@@H](O)C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
    InChI
    InChI=1S/C18H22ClN7O4/c1-18(2,30-3)15(27)17(29)26-14(6-7-22-26)16(28)20-9-11-8-12(19)4-5-13(11)25-10-21-23-24-25/h4-5,7-8,10,14-15,27H,6,9H2,1-3H3,(H,20,28)/t14-,15-/m0/s1
    MOLECULAR FORMULA
    C18H22ClN7O4
    CROSS REFERENCES
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    canSAR2096505
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight435.14
    AlogP0.30
    HBond donors2
    HBond acceptors11
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096505.