1404564 logo
canSAR1404564
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(CF)c1ccc(Nc2nn([C@H]3CC[C@@H](O)C[C@@H]3C#N)cc2C(N)=O)cc1
    InChI
    InChI=1S/C21H26FN5O2/c1-21(2,12-22)14-3-5-15(6-4-14)25-20-17(19(24)29)11-27(26-20)18-8-7-16(28)9-13(18)10-23/h3-6,11,13,16,18,28H,7-9,12H2,1-2H3,(H2,24,29)(H,25,26)/t13-,16-,18+/m1/s1
    MOLECULAR FORMULA
    C21H26FN5O2
    CROSS REFERENCES
    1404564 logo

    canSAR1404564

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.21
    AlogP 3.20
    HBond donors 4
    HBond acceptors 7
    Atoms 55
    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 canSAR1404564.