1864161 logo
canSAR1864161
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccccc1CNc1ncccn1.O=C(O)C(=O)O
    InChI
    InChI=1S/C12H13N3O.C2H2O4/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12;3-1(4)2(5)6/h2-8H,9H2,1H3,(H,13,14,15);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C14H15N3O5
    CROSS REFERENCES
    1864161 logo

    canSAR1864161

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 305.10
    AlogP 1.25
    HBond donors 3
    HBond acceptors 8
    Atoms 37
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864161.