833274 logo
canSAR833274
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1nc[nH]c(=O)c1C2c1ccc(Cl)cc1
    InChI
    InChI=1S/C25H23ClN4O4S/c1-25(2)11-18-21(19(31)12-25)20(14-3-5-15(26)6-4-14)22-23(28-13-29-24(22)32)30(18)16-7-9-17(10-8-16)35(27,33)34/h3-10,13,20H,11-12H2,1-2H3,(H2,27,33,34)(H,28,29,32)
    MOLECULAR FORMULA
    C25H23ClN4O4S
    CROSS REFERENCES
    833274 logo

    canSAR833274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.11
    AlogP 4.00
    HBond donors 3
    HBond acceptors 8
    Atoms 58
    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 canSAR833274.