canSAR1085186
FEATURES
Loading...
NAMES
    SMILES
    CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@]2(C(=O)Nc3ccccc32)C12C(=O)c1cccc3cccc2c13
    InChI
    InChI=1S/C33H22N4O3/c1-37-18-31(17-34,28(38)22-16-35-25-14-4-2-10-20(22)25)32(23-12-3-5-15-26(23)36-30(32)40)33(37)24-13-7-9-19-8-6-11-21(27(19)24)29(33)39/h2-16,35H,18H2,1H3,(H,36,40)/t31-,32+,33?/m1/s1
    MOLECULAR FORMULA
    C33H22N4O3
    CROSS REFERENCES
    Loading...
    canSAR1085186
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight522.17
    AlogP4.94
    HBond donors2
    HBond acceptors7
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1085186.