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canSAR1201364
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NAMES
    SMILES
    COc1cccc(-c2nc3c(N[C@H]4[C@@H](C(N)=O)[C@@H]5C=C[C@H]4C5)c(Cl)cnc3[nH]2)c1
    InChI
    InChI=1S/C21H20ClN5O2/c1-29-13-4-2-3-12(8-13)20-26-18-17(14(22)9-24-21(18)27-20)25-16-11-6-5-10(7-11)15(16)19(23)28/h2-6,8-11,15-16H,7H2,1H3,(H2,23,28)(H2,24,25,26,27)/t10-,11+,15+,16-/m1/s1
    MOLECULAR FORMULA
    C21H20ClN5O2
    CROSS REFERENCES
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    canSAR1201364

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.13
    AlogP 3.37
    HBond donors 4
    HBond acceptors 7
    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 canSAR1201364.