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canSAR1095178
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(N[C@@H](C)C(C)(C)O)nc21
    InChI
    InChI=1S/C20H27ClN6O2/c1-11(2)27-10-23-16-17(22-9-13-8-14(21)6-7-15(13)28)25-19(26-18(16)27)24-12(3)20(4,5)29/h6-8,10-12,28-29H,9H2,1-5H3,(H2,22,24,25,26)/t12-/m0/s1
    MOLECULAR FORMULA
    C20H27ClN6O2
    CROSS REFERENCES
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    canSAR1095178

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.19
    AlogP 3.95
    HBond donors 4
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1095178.