1431640 logo
canSAR1431640
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1
    InChI
    InChI=1S/C28H23N5O4/c1-2-16-29-28(35)25(30-27(34)20-10-5-3-6-11-20)18-22-19-32(23-13-7-4-8-14-23)31-26(22)21-12-9-15-24(17-21)33(36)37/h2-15,17-19H,1,16H2,(H,29,35)(H,30,34)/b25-18-
    MOLECULAR FORMULA
    C28H23N5O4
    CROSS REFERENCES
    1431640 logo

    canSAR1431640

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.18
    AlogP 4.52
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1431640.