2206309 logo
canSAR2206309
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC[C@@H](C)n1c(-c2cnc(N)nc2OC)cc2c1C(c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
    InChI
    InChI=1S/C28H24ClFN6O3/c1-15(14-38-2)35-23(20-13-33-28(32)34-26(20)39-3)11-19-25(35)24(17-6-4-16(12-31)5-7-17)36(27(19)37)18-8-9-22(30)21(29)10-18/h4-11,13,15,24H,14H2,1-3H3,(H2,32,33,34)/t15-,24?/m1/s1
    MOLECULAR FORMULA
    C28H24ClFN6O3
    CROSS REFERENCES
    2206309 logo

    canSAR2206309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.16
    AlogP 5.16
    HBond donors 2
    HBond acceptors 9
    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 canSAR2206309.