canSAR823150
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC/C(=N\OCCC#N)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C
    InChI
    InChI=1S/C33H50N2O3/c1-21-11-16-33(28(36)37)18-17-31(6)23(27(33)22(21)2)9-10-25-30(5)14-13-26(35-38-20-8-19-34)29(3,4)24(30)12-15-32(25,31)7/h9,21-22,24-25,27H,8,10-18,20H2,1-7H3,(H,36,37)/b35-26+/t21-,22+,24+,25-,27+,30+,31-,32-,33+/m1/s1
    MOLECULAR FORMULA
    C33H50N2O3
    CROSS REFERENCES
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    canSAR823150
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight522.38
    AlogP8.01
    HBond donors1
    HBond acceptors5
    Atoms88
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823150.