2084149 logo
canSAR2084149
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1
    InChI
    InChI=1S/C21H22F3N7O/c1-14-12-30(8-9-31(14)18-3-2-16(11-26-18)21(22,23)24)13-15-10-27-29-19(15)20(32)28-17-4-6-25-7-5-17/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,27,29)(H,25,28,32)/t14-/m1/s1
    MOLECULAR FORMULA
    C21H22F3N7O
    CROSS REFERENCES
    2084149 logo

    canSAR2084149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.18
    AlogP 3.18
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR2084149.