canSAR1090079
FEATURES
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NAMES
    SMILES
    C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cccnc3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1
    InChI
    InChI=1S/C36H49N5O6/c1-23-15-24(2)17-26(4)35(44)27(19-37)9-5-6-13-33(47-34(43)18-32(42)25(3)16-23)30-11-7-12-31(30)36(45)46-22-28-21-41(40-39-28)29-10-8-14-38-20-29/h5-6,8-10,14,20-21,23-26,30-33,35,42,44H,7,11-13,15-18,22H2,1-4H3/b6-5+,27-9-/t23-,24+,25-,26-,30+,31+,32-,33-,35+/m0/s1
    MOLECULAR FORMULA
    C36H49N5O6
    CROSS REFERENCES
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    canSAR1090079
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight647.37
    AlogP5.27
    HBond donors2
    HBond acceptors11
    Atoms96
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1090079.