1269090 logo
canSAR1269090
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(C2C3=C(N=c4s/c(=C\c5c[nH]c6ccccc56)c(=O)n42)c2ccc(OC)cc2CC3)cc1
    InChI
    InChI=1S/C31H25N3O3S/c1-36-21-10-7-18(8-11-21)29-25-13-9-19-15-22(37-2)12-14-24(19)28(25)33-31-34(29)30(35)27(38-31)16-20-17-32-26-6-4-3-5-23(20)26/h3-8,10-12,14-17,29,32H,9,13H2,1-2H3/b27-16-
    MOLECULAR FORMULA
    C31H25N3O3S
    CROSS REFERENCES
    1269090 logo

    canSAR1269090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.16
    AlogP 4.82
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR1269090.