canSAR856673
FEATURES
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NAMES
    SMILES
    C=CCOC(=O)[C@H]1[C@H]2CC[C@H]3C[C@@]4(CCC=C[C@H](CC)O4)NC(=[N+]32)N[C@@]12CCC[C@@H](C)O2
    InChI
    InChI=1S/C25H37N3O4/c1-4-15-30-22(29)21-20-12-11-18-16-24(13-7-6-10-19(5-2)32-24)26-23(28(18)20)27-25(21)14-8-9-17(3)31-25/h4,6,10,17-21H,1,5,7-9,11-16H2,2-3H3,(H,26,27)/p+1/t17-,18+,19+,20-,21-,24+,25-/m1/s1
    MOLECULAR FORMULA
    C25H38N3O4+
    CROSS REFERENCES
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    canSAR856673
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight444.29
    AlogP2.95
    HBond donors2
    HBond acceptors7
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856673.