1126885 logo
canSAR1126885
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCc1nc(Cl)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)c(F)c1
    InChI
    InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1
    MOLECULAR FORMULA
    C26H27ClF4N4O
    CROSS REFERENCES
    1126885 logo

    canSAR1126885

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.18
    AlogP 5.73
    HBond donors 1
    HBond acceptors 5
    Atoms 63
    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 canSAR1126885.