canSAR2098315
FEATURES
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NAMES
    SMILES
    O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H](O)c1ccccc1
    InChI
    InChI=1S/C22H21ClN6O3/c23-16-6-7-17(28-12-25-26-27-28)15(8-16)11-24-21(31)19-10-14-9-18(14)29(19)22(32)20(30)13-4-2-1-3-5-13/h1-8,12,14,18-20,30H,9-11H2,(H,24,31)/t14-,18-,19-,20+/m0/s1
    MOLECULAR FORMULA
    C22H21ClN6O3
    CROSS REFERENCES
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    canSAR2098315
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight452.14
    AlogP1.65
    HBond donors2
    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 canSAR2098315.