General Information of the Compound
| Compound ID |
CP0559449
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| Compound Name |
3-amino-5-(4-fluorophenyl)sulfonyl-N-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridine-2-carboxamide
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| Formula |
C16H15F4N3O4S
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| Molecular Weight |
421.372
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| Canonical SMILES |
CN(C[C@@H](O)C(F)(F)F)C(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C16H15F4N3O4S/c1-23(8-13(24)16(18,19)20)15(25)14-12(21)6-11(7-22-14)28(26,27)10-4-2-9(17)3-5-10/h2-7,13,24H,8,21H2,1H3/t13-/m1/s1
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| InChIKey |
KVVJCYSYIBJNIB-CYBMUJFWSA-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