canSAR856301
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)OC(C)OC(=O)C(C)(C)C.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C30H50N2O4.C4H4O4/c1-20(2)9-8-10-21(3)11-13-32(29(34)36-22(4)35-28(33)30(5,6)7)14-12-31-27-25-16-23-15-24(18-25)19-26(27)17-23;5-3(6)1-2-4(7)8/h9,11,22-27,31H,8,10,12-19H2,1-7H3;1-2H,(H,5,6)(H,7,8)/b21-11+;2-1-
    MOLECULAR FORMULA
    C34H54N2O8
    CROSS REFERENCES
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    canSAR856301
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.39
    AlogP6.18
    HBond donors3
    HBond acceptors10
    Atoms98
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856301.