canSAR422070
FEATURES
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NAMES
    SMILES
    C#CCNC1=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/C31H41N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h1,9-11,15-17,19,24-25,27,29,33,36H,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
    MOLECULAR FORMULA
    C31H41N3O8
    CROSS REFERENCES
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    canSAR422070
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight583.29
    AlogP1.98
    HBond donors5
    HBond acceptors11
    Atoms83
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR422070.