1401877 logo
canSAR1401877
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1CCN([C@H]2CCN(C3CCOC3)[C@@H]2Cc2cnn(C)c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H31N5O.3C2HF3O2/c1-20-6-8-22(9-7-20)17-3-5-23(16-4-10-24-14-16)18(17)11-15-12-19-21(2)13-15;3*3-2(4,5)1(6)7/h12-13,16-18H,3-11,14H2,1-2H3;3*(H,6,7)
    MOLECULAR FORMULA
    C24H34F9N5O7
    CROSS REFERENCES
    1401877 logo

    canSAR1401877

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 675.23
    AlogP 2.34
    HBond donors 3
    HBond acceptors 12
    Atoms 79
    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 canSAR1401877.