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canSAR1144303
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NAMES
    SMILES
    Cc1ccc2nc(Oc3ccc(C#N)cc3)c(C3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1
    InChI
    InChI=1S/C35H27F2N5O2/c1-19-4-11-28-21(12-19)13-24(34(41-28)44-23-8-5-20(17-38)6-9-23)31-25(18-39)33(40)42(22-7-10-26(36)27(37)14-22)29-15-35(2,3)16-30(43)32(29)31/h4-14,31H,15-16,40H2,1-3H3
    MOLECULAR FORMULA
    C35H27F2N5O2
    CROSS REFERENCES
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    canSAR1144303

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.21
    AlogP 7.43
    HBond donors 2
    HBond acceptors 7
    Atoms 71
    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 canSAR1144303.