canSAR824350
FEATURES
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NAMES
    SMILES
    C=CCN[C@@H]1[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NC)=C(C[C@@H](C)C[C@@H]1OC)C2=O
    InChI
    InChI=1S/C32H46N4O7/c1-9-13-35-27-20(4)16-21(5)30(43-32(33)40)25(41-7)12-10-11-19(3)31(39)36-23-17-24(37)28(34-6)22(29(23)38)14-18(2)15-26(27)42-8/h9-12,16-18,20,25-27,30,34-35H,1,13-15H2,2-8H3,(H2,33,40)(H,36,39)/b12-10-,19-11+,21-16+/t18-,20+,25+,26+,27-,30+/m1/s1
    MOLECULAR FORMULA
    C32H46N4O7
    CROSS REFERENCES
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    canSAR824350
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight598.34
    AlogP2.76
    HBond donors5
    HBond acceptors11
    Atoms89
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824350.