1401326 logo
canSAR1401326
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)c1ccnc(-c2cc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)ccn2)c1.Cl
    InChI
    InChI=1S/C22H20N4O3.ClH/c1-29-22(28)15-7-9-25-20(11-15)19-10-14(6-8-24-19)21(27)26-16-4-2-13(3-5-16)17-12-18(17)23;/h2-11,17-18H,12,23H2,1H3,(H,26,27);1H/t17-,18+;/m0./s1
    MOLECULAR FORMULA
    C22H21ClN4O3
    CROSS REFERENCES
    1401326 logo

    canSAR1401326

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.13
    AlogP 3.42
    HBond donors 3
    HBond acceptors 7
    Atoms 51
    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 canSAR1401326.