2088038 logo
canSAR2088038
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(F)(F)F
    InChI
    InChI=1S/C18H21ClF3N5O/c1-28-3-2-26-7-11-12(8-26)16(11)15-5-14(25-27(15)9-18(20,21)22)10-4-13(19)17(23)24-6-10/h4-6,11-12,16H,2-3,7-9H2,1H3,(H2,23,24)/t11-,12+,16+
    MOLECULAR FORMULA
    C18H21ClF3N5O
    CROSS REFERENCES
    2088038 logo

    canSAR2088038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.14
    AlogP 3.03
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    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 canSAR2088038.