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canSAR1966786
FEATURES
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NAMES
    SMILES
    O=C(O)C1C2CC3CC(C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3
    InChI
    InChI=1S/C22H28ClN3O5/c23-18-16(25-3-1-22(2-4-25)30-5-6-31-22)12-24-26(19(18)27)21-10-13-7-14(11-21)9-15(8-13)17(21)20(28)29/h12-15,17H,1-11H2,(H,28,29)
    MOLECULAR FORMULA
    C22H28ClN3O5
    CROSS REFERENCES
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    canSAR1966786

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.17
    AlogP 2.48
    HBond donors 1
    HBond acceptors 8
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1966786.