846304 logo
canSAR846304
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1n[nH]c(C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1
    InChI
    InChI=1S/C23H23N5O3S/c1-13-21(14(2)28-27-13)26-23(29)30-12-18(15-7-4-3-5-8-15)31-17-9-6-10-19-16(17)11-20(32-19)22(24)25/h3-11,18H,12H2,1-2H3,(H3,24,25)(H,26,29)(H,27,28)
    MOLECULAR FORMULA
    C23H23N5O3S
    CROSS REFERENCES
    846304 logo

    canSAR846304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.15
    AlogP 4.89
    HBond donors 5
    HBond acceptors 8
    Atoms 55
    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 canSAR846304.