1090731 logo
canSAR1090731
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O
    InChI
    InChI=1S/C24H33ClN4O7S/c1-24(2,3)20(28-21(32)14-7-8-17(26)16(25)12-14)23(34)29-10-5-6-18(29)22(33)27-15(13-19(30)31)9-11-37(4,35)36/h7-9,11-12,15,18,20H,5-6,10,13,26H2,1-4H3,(H,27,33)(H,28,32)(H,30,31)/b11-9+/t15-,18+,20+/m1/s1
    MOLECULAR FORMULA
    C24H33ClN4O7S
    CROSS REFERENCES
    1090731 logo

    canSAR1090731

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.18
    AlogP 1.58
    HBond donors 5
    HBond acceptors 11
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1090731.