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canSAR988250
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NAMES
    SMILES
    CC(Oc1cc(-c2cnn([C@H]3CCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
    InChI
    InChI=1S/C20H20Cl2FN5O/c1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-26-20(17)24)13-8-27-28(10-13)14-4-5-25-9-14/h2-3,6-8,10-11,14,25H,4-5,9H2,1H3,(H2,24,26)/t11?,14-/m0/s1
    MOLECULAR FORMULA
    C20H20Cl2FN5O
    CROSS REFERENCES
    988250 logo

    canSAR988250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.10
    AlogP 4.65
    HBond donors 3
    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 canSAR988250.