General Information of the Compound
| Compound ID |
CP0119890
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| Compound Name |
US9120756, 141
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| Structure |
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| Formula |
C21H15ClF7N3O
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| Molecular Weight |
493.81
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15ClF7N3O/c1-11(12-5-6-16(17(23)7-12)20(24,25)26)19(33)30-10-15-9-18(21(27,28)29)31-32(15)14-4-2-3-13(22)8-14/h2-9,11H,10H2,1H3,(H,30,33)
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| InChIKey |
JVEMIXUBIITKHD-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