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canSAR2087824
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NAMES
    SMILES
    COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1
    InChI
    InChI=1S/C23H22N4O3/c1-30-13-17-3-2-10-27(17)22-21(15-4-6-18-14(11-15)8-9-24-18)25-19-7-5-16(23(28)29)12-20(19)26-22/h4-9,11-12,17,24H,2-3,10,13H2,1H3,(H,28,29)/t17-/m1/s1
    MOLECULAR FORMULA
    C23H22N4O3
    CROSS REFERENCES
    2087824 logo

    canSAR2087824

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.17
    AlogP 4.09
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2087824.