canSAR1651781
FEATURES
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NAMES
    SMILES
    CCCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@@H]2n2cc(C(C)(C)O)nn2)cc1
    InChI
    InChI=1S/C27H37N3O4/c1-4-5-6-7-19-8-10-20(11-9-19)12-14-23-22(30-17-26(28-29-30)27(2,3)32)16-25-24(34-23)15-13-21(18-31)33-25/h8-11,17,21-25,31-32H,4-5,12-16,18H2,1-3H3/t21-,22+,23-,24+,25+/m1/s1
    MOLECULAR FORMULA
    C27H37N3O4
    CROSS REFERENCES
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    canSAR1651781
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight467.28
    AlogP3.53
    HBond donors2
    HBond acceptors7
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651781.