canSAR2094311
FEATURES
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NAMES
    SMILES
    Cc1ccc(/C=C/C(=O)c2ccc(OCc3cn(CC(=O)O[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7CCC(=O)[C@@]7(C)CC[C@@H]65)C4)nn3)cc2)cc1
    InChI
    InChI=1S/C40H45N3O5/c1-26-4-6-27(7-5-26)8-16-36(44)28-9-12-31(13-10-28)47-25-30-23-43(42-41-30)24-38(46)48-32-18-20-39(2)29(22-32)11-14-33-34-15-17-37(45)40(34,3)21-19-35(33)39/h4-13,16,23,32-35H,14-15,17-22,24-25H2,1-3H3/b16-8+/t32-,33-,34-,35-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C40H45N3O5
    CROSS REFERENCES
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    canSAR2094311
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight647.34
    AlogP7.51
    HBond donors0
    HBond acceptors8
    Atoms93
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094311.