canSAR184668
FEATURES
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NAMES
    SMILES
    C=CCNC(=O)NC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O
    InChI
    InChI=1S/C32H44N4O9/c1-8-12-34-32(42)36-26-21-13-17(2)14-25(44-7)27(38)19(4)15-20(5)29(45-31(33)41)24(43-6)11-9-10-18(3)30(40)35-22(28(21)39)16-23(26)37/h8-11,15-17,19,24-25,27,29,38H,1,12-14H2,2-7H3,(H2,33,41)(H,35,40)(H2,34,36,42)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
    MOLECULAR FORMULA
    C32H44N4O9
    CROSS REFERENCES
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    canSAR184668
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight628.31
    AlogP2.25
    HBond donors6
    HBond acceptors13
    Atoms89
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR184668.