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canSAR1059587
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NAMES
    SMILES
    O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@@H](c3ccccc3)C3CC3)nc(Cl)nc21
    InChI
    InChI=1S/C21H22ClN5O2/c22-21-25-19(24-14(11-6-7-11)10-4-2-1-3-5-10)15-20(26-21)27(9-23-15)16-12-8-13(12)17(28)18(16)29/h1-5,9,11-14,16-18,28-29H,6-8H2,(H,24,25,26)/t12-,13+,14-,16+,17+,18-/m0/s1
    MOLECULAR FORMULA
    C21H22ClN5O2
    CROSS REFERENCES
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    canSAR1059587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.15
    AlogP 2.96
    HBond donors 3
    HBond acceptors 7
    Atoms 51
    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 canSAR1059587.