1593734 logo
canSAR1593734
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-c2nc(C(N)=O)sc21
    InChI
    InChI=1S/C21H18N4O3S/c1-12-11-28-15-5-4-13(6-7-21(2,27)20-23-8-3-9-24-20)10-14(15)16-17(12)29-19(25-16)18(22)26/h3-5,8-10,12,27H,11H2,1-2H3,(H2,22,26)/t12-,21+/m0/s1
    MOLECULAR FORMULA
    C21H18N4O3S
    CROSS REFERENCES
    1593734 logo

    canSAR1593734

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.11
    AlogP 2.45
    HBond donors 3
    HBond acceptors 7
    Atoms 47
    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 canSAR1593734.