canSAR1809567
FEATURES
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NAMES
    SMILES
    N#Cc1ccnc(O[C@@H]2CCN(C(=O)OC3C4CC5CC3CC(O)(C5)C4)C2)c1
    InChI
    InChI=1S/C21H25N3O4/c22-11-13-1-3-23-18(7-13)27-17-2-4-24(12-17)20(25)28-19-15-5-14-6-16(19)10-21(26,8-14)9-15/h1,3,7,14-17,19,26H,2,4-6,8-10,12H2/t14?,15?,16?,17-,19?,21?/m1/s1
    MOLECULAR FORMULA
    C21H25N3O4
    CROSS REFERENCES
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    canSAR1809567
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight383.18
    AlogP2.48
    HBond donors1
    HBond acceptors7
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809567.