canSAR1649789
FEATURES
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NAMES
    SMILES
    CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc2cc(Cl)ccc2[nH]1
    InChI
    InChI=1S/C19H21ClN6O2/c1-10(2)15-9-28-19(27)26(15)16-6-7-21-18(25-16)22-11(3)17-23-13-5-4-12(20)8-14(13)24-17/h4-8,10-11,15H,9H2,1-3H3,(H,23,24)(H,21,22,25)/t11?,15-/m1/s1
    MOLECULAR FORMULA
    C19H21ClN6O2
    CROSS REFERENCES
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    canSAR1649789
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight400.14
    AlogP4.16
    HBond donors2
    HBond acceptors8
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649789.