2093860 logo
canSAR2093860
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)nc(N3CC4CC3C4)n2)cn1
    InChI
    InChI=1S/C18H21N7O2S/c19-17-20-5-11(6-21-17)15-4-16(24-8-14-3-13(24)9-28(14,26)27)23-18(22-15)25-7-10-1-12(25)2-10/h4-6,10,12-14H,1-3,7-9H2,(H2,19,20,21)/t10?,12?,13-,14-/m0/s1
    MOLECULAR FORMULA
    C18H21N7O2S
    CROSS REFERENCES
    2093860 logo

    canSAR2093860

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.15
    AlogP 0.49
    HBond donors 2
    HBond acceptors 9
    Atoms 49
    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 canSAR2093860.