General Information of the Compound
| Compound ID |
CP0458297
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| Compound Name |
N-(2-chlorophenyl)-2-(2,2,3,3,3-pentafluoropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C19H16ClF5N2O2S
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| Molecular Weight |
466.859
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| Canonical SMILES |
FC(F)(F)C(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1Cl
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| InChI |
InChI=1S/C19H16ClF5N2O2S/c20-11-7-4-5-8-12(11)26-15(28)14-10-6-2-1-3-9-13(10)30-16(14)27-17(29)18(21,22)19(23,24)25/h4-5,7-8H,1-3,6,9H2,(H,26,28)(H,27,29)
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| InChIKey |
RCQCDDJTPVTWNS-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