General Information of the Compound
| Compound ID |
CP0406817
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| Compound Name |
US9206164, 109
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| Structure |
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| Formula |
C22H20ClFN4O2
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| Molecular Weight |
426.879
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2F)-c2nc3cc(C)c(Cl)cc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H20ClFN4O2/c1-11-6-19-20(9-17(11)23)26-22(25-19)14-4-5-15(18(24)7-14)10-28-13(3)16(8-21(29)30)12(2)27-28/h4-7,9H,8,10H2,1-3H3,(H,25,26)(H,29,30)
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| InChIKey |
WSGHUXLWJUCMBO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound