General Information of the Compound
| Compound ID |
CP0462926
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| Compound Name |
US9120756, 30
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| Structure |
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| Formula |
C20H15ClF5N3O
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| Molecular Weight |
443.803
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C20H15ClF5N3O/c1-11(12-5-14(22)8-15(23)6-12)19(30)27-10-17-9-18(20(24,25)26)28-29(17)16-4-2-3-13(21)7-16/h2-9,11H,10H2,1H3,(H,27,30)
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| InChIKey |
DAMQROQECLLEKG-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