General Information of the Compound
Compound ID
CP0542524
Compound Name
3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
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Structure
Formula
C13H15F6N3O3
Molecular Weight
375.269
Canonical SMILES
CCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
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InChI
InChI=1S/C13H15F6N3O3/c1-3-25-10-6(12(14,15)16)4-7(20)8(22-10)9(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23)/t11-/m0/s1
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InChIKey
QOLIZSVOBMCSPJ-NSHDSACASA-N
Physicochemical Property
logP
2.1244
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
97.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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).

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PubChem ID
CID: 58442302
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 15 nM
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