Molecules/(S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid
(S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid
2-[[4-[6-[(4-chloro-1-benzofuran-7-yl)methoxy]-5-fluoro-2-pyridinyl]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular Identity
(S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid
2-[[4-[6-[(4-chloro-1-benzofuran-7-yl)methoxy]-5-fluoro-2-pyridinyl]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
PubChem CID: 172991785
2D Structure
Properties
C33H24ClF2N3O5
Molecular Formula
616.00
Molecular Weight
g/mol
615.1373
Exact Mass
Da
6.5
XLogP
Above Lipinski threshold
99.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
1000
Complexity
SMILES
Canonical SMILES
SMILES: C1COC1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CC4=C(C=C(C=C4)C5=NC(=C(C=C5)F)OCC6=C7C(=C(C=C6)Cl)C=CO7)FIsomeric SMILES
SMILES: C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CC4=C(C=C(C=C4)C5=NC(=C(C=C5)F)OCC6=C7C(=C(C=C6)Cl)C=CO7)FSynonyms(10)
2969158-02-7orb3028215CHEMBL6170372GTPL13870EX-A12408DDA-302168Scompound 29 [PMID: 40257122]T206917(S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid2-(4-(6-((4-chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic acid
Data from PubChem (NCBI)
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Molecular Structure
(S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid
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Drug Network
Trials and conditions connected to (S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid
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