2087859 logo
canSAR2087859
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)CC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2ccccc2)CC1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C21H31N3O2.C2HF3O2/c1-16(2)15-19(25)24-12-9-18-21(11-14-24,10-13-23(18)3)20(26)22-17-7-5-4-6-8-17;3-2(4,5)1(6)7/h4-8,16,18H,9-15H2,1-3H3,(H,22,26);(H,6,7)/t18-,21-;/m1./s1
    MOLECULAR FORMULA
    C23H32F3N3O4
    CROSS REFERENCES
    2087859 logo

    canSAR2087859

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.23
    AlogP 3.62
    HBond donors 2
    HBond acceptors 7
    Atoms 65
    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 canSAR2087859.