386302 logo
canSAR386302
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NO)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
    InChI
    InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
    MOLECULAR FORMULA
    C19H21N3O3
    CROSS REFERENCES
    386302 logo

    canSAR386302

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.16
    AlogP 2.53
    HBond donors 3
    HBond acceptors 6
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR386302.