canSAR1387791
FEATURES
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NAMES
    SMILES
    Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)OCCN3CCN(C)CC3)[C@@H]1O2
    InChI
    InChI=1S/C22H31N3O4/c1-15-4-5-18-16(14-15)22(2)7-6-17(26)19(20(22)29-18)23-21(27)28-13-12-25-10-8-24(3)9-11-25/h4-5,14,19-20H,6-13H2,1-3H3,(H,23,27)/t19-,20-,22-/m0/s1
    MOLECULAR FORMULA
    C22H31N3O4
    CROSS REFERENCES
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    canSAR1387791
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight401.23
    AlogP1.72
    HBond donors1
    HBond acceptors7
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387791.