canSAR1808795
FEATURES
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NAMES
    SMILES
    Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O
    InChI
    InChI=1S/C25H38N4O/c1-19-17-21(27-16-8-22(18-27)28-14-3-5-20(28)2)6-7-23(19)29-15-4-9-25(24(29)30)10-12-26-13-11-25/h6-7,17,20,22,26H,3-5,8-16,18H2,1-2H3/t20-,22-/m0/s1
    MOLECULAR FORMULA
    C25H38N4O
    CROSS REFERENCES
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    canSAR1808795
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.30
    AlogP3.55
    HBond donors1
    HBond acceptors5
    Atoms68
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808795.