General Information of the Compound
| Compound ID |
CP0371199
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| Compound Name |
N-[2-chloro-4-[(4-cyanophenyl)sulfonyl-methylamino]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C18H15ClF3N3O4S
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| Molecular Weight |
461.849
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| Canonical SMILES |
CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H15ClF3N3O4S/c1-17(27,18(20,21)22)16(26)24-15-8-5-12(9-14(15)19)25(2)30(28,29)13-6-3-11(10-23)4-7-13/h3-9,27H,1-2H3,(H,24,26)
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| InChIKey |
NZPSTYAGNIOCBZ-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