General Information of the Compound
Compound ID
CP0082542
Compound Name
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
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Synonyms
1034148-04-3
2,2,2-Tris(Fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-Fluorophenyl)indazol-5-Yl]oxy-1-(3-Methoxyphenyl)propan-2-Yl]ethanamide
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
641H0Q518W
AZD-5423
Acetamide, 2,2,2-trifluoro-N-[(1S,2R)-2-[[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-(3-methoxyphenyl)-1-methylethyl]-;Acetamide, 2,2,2-trifluoro-N-[(1S,2R)-2-[[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-(3-methoxyphenyl)-1-methylethyl]-
UNII-641H0Q518W
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Structure
Formula
C25H21F4N3O3
Molecular Weight
487.453
Canonical SMILES
COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
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InChI
InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
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InChIKey
FCNQMDSJHADDFT-WNSKOXEYSA-N
CAS
1034148-04-3
Physicochemical Property
logP
5.3603
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
65.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 24825740
SID: 49847084
ChEMBL ID
CHEMBL4072756
DrugBank ID
DB12280
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: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AZD-5423 )
Drug Name AZD-5423
Company AstraZeneca plc
Indication
Chronic obstructive pulmonary disease
Discontinued in Phase 2
Target(s)
Glucocorticoid receptor (NR3C1)
Agonist