2083744 logo
canSAR2083744
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNCCNC(=O)[C@H]1[C@H](C(=O)NCc2nc(C(C)=O)cs2)[C@@H]2C=C[C@H]1C21CC1
    InChI
    InChI=1S/C20H26N4O3S/c1-11(25)14-10-28-15(24-14)9-23-19(27)17-13-4-3-12(20(13)5-6-20)16(17)18(26)22-8-7-21-2/h3-4,10,12-13,16-17,21H,5-9H2,1-2H3,(H,22,26)(H,23,27)/t12-,13+,16-,17-/m1/s1
    MOLECULAR FORMULA
    C20H26N4O3S
    CROSS REFERENCES
    2083744 logo

    canSAR2083744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.17
    AlogP 1.13
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    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 canSAR2083744.