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canSAR843955
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NAMES
    SMILES
    COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)c(N)cc3C=C[C@@H]12
    InChI
    InChI=1S/C18H23NO3/c1-17-7-4-8-18(2,16(21)22-3)15(17)6-5-11-9-13(19)14(20)10-12(11)17/h5-6,9-10,15,20H,4,7-8,19H2,1-3H3/t15-,17-,18+/m1/s1
    MOLECULAR FORMULA
    C18H23NO3
    CROSS REFERENCES
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    canSAR843955

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 301.17
    AlogP 3.24
    HBond donors 3
    HBond acceptors 4
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR843955.