canSAR2102698
FEATURES
Loading...
NAMES
    SMILES
    CC(C)(C)C[C@@H]1N[C@H](C(O)=NC2CCC(OC(=O)CN)CC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(O)=Nc1cc(Cl)ccc12
    InChI
    InChI=1S/C31H37Cl2FN4O4/c1-30(2,3)14-23-31(20-12-7-16(32)13-22(20)37-29(31)41)25(19-5-4-6-21(33)26(19)34)27(38-23)28(40)36-17-8-10-18(11-9-17)42-24(39)15-35/h4-7,12-13,17-18,23,25,27,38H,8-11,14-15,35H2,1-3H3,(H,36,40)(H,37,41)/t17?,18?,23-,25+,27-,31+/m0/s1
    MOLECULAR FORMULA
    C31H37Cl2FN4O4
    CROSS REFERENCES
    Loading...
    canSAR2102698
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.22
    AlogP6.30
    HBond donors5
    HBond acceptors8
    Atoms79
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2102698.