canSAR1809485
FEATURES
Loading...
NAMES
    SMILES
    COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccncc2)[C@H](CO)N3C)c1
    InChI
    InChI=1S/C27H29N3O3/c1-29-24-7-6-20(19-4-3-5-21(15-19)33-2)16-23(24)27-22(25(29)17-31)10-13-30(27)26(32)14-18-8-11-28-12-9-18/h3-9,11-12,15-16,22,25,27,31H,10,13-14,17H2,1-2H3/t22-,25+,27-/m1/s1
    MOLECULAR FORMULA
    C27H29N3O3
    CROSS REFERENCES
    Loading...
    canSAR1809485
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight443.22
    AlogP3.70
    HBond donors1
    HBond acceptors6
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809485.