General Information of the Compound
| Compound ID |
CP0551217
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| Compound Name |
US10117858, Example 5
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| Synonyms |
(S)-3-Amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)picolinamide
1334546-77-8
2-Pyridinecarboxamide, 3-amino-6-methoxy-N-((2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)-
2-pyridinecarboxamide, 3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-
3-Amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
3-amino-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-3,3,3-trifluoro-2-hydroxy-2-methyl-propyl)-amide
3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
AKOS040759841
AMB0BO0WFH
BDBM297402
CHEMBL4650318
CS-0116371
DTXSID601336884
GTPL11547
HY-109177
Icenticaftor
Icenticaftor [INN]
Icenticaftor [USAN:INN]
Icenticaftor [USAN]
MS-25717
QBW-251
QBW251
Qbw251
SCHEMBL2372751
UNII-AMB0BO0WFH
US10117858, Example 5
WHO 11246
compound 33 [PMID: 34028270]
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| Structure |
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| Formula |
C12H13F6N3O3
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| Molecular Weight |
361.242
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| Canonical SMILES |
COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
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| InChI |
InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1
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| InChIKey |
USHQRIKZLHNPQR-JTQLQIEISA-N
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| CAS |
1334546-77-8
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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
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Clinical Information about the Compound