1998698 logo
canSAR1998698
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3C(=O)N2C)O1
    InChI
    InChI=1S/C26H28F3N3O5/c1-3-30-23(33)13-18-8-9-20-22(37-18)14-36-21-10-7-17(12-19(21)25(35)32(20)2)31-24(34)15-5-4-6-16(11-15)26(27,28)29/h4-7,10-12,18,20,22H,3,8-9,13-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20-,22-/m0/s1
    MOLECULAR FORMULA
    C26H28F3N3O5
    CROSS REFERENCES
    1998698 logo

    canSAR1998698

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.20
    AlogP 3.86
    HBond donors 2
    HBond acceptors 8
    Atoms 65
    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 canSAR1998698.