General Information of the Compound
| Compound ID |
CP0476986
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| Compound Name |
US8791272, 13.5
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| Structure |
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| Formula |
C22H20ClF3N2O3
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| Molecular Weight |
452.86
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| Canonical SMILES |
Cc1nn(Cc2ccc(OCc3ccc(Cl)c(c3)C(F)(F)F)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H20ClF3N2O3/c1-13-18(10-21(29)30)14(2)28(27-13)11-15-3-6-17(7-4-15)31-12-16-5-8-20(23)19(9-16)22(24,25)26/h3-9H,10-12H2,1-2H3,(H,29,30)
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| InChIKey |
KVPIOXRINRSHQO-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