General Information of the Compound
| Compound ID |
CP0198486
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| Compound Name |
US10597366, Compound 163
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| Synonyms |
1672665-49-4
3-(((1S)-2,2-Difluoro-1-hydroxy-7-methanesulfonyl-2,3-dihydro-1hinden-4-yl)oxy)-5-fluorobenzonitrile
3-{[(1s)-2,2-Difluoro-1-Hydroxy-7-(Methylsulfonyl)-2,3-Dihydro-1h-Inden-4-Yl]oxy}-5-Fluorobenzonitrile
6O16716DXP
79A
AKOS030526641
Benzonitrile, 3-(((1S)-2,2-difluoro-2,3-dihydro-1-hydroxy-7-(methylsulfonyl)-1H-inden-4-yl)oxy)-5-fluoro-
HY-12867
ONBSHRSJOPSEGS-INIZCTEOSA-N
PT-2385
PT2385
PT2385,1672665-49-4, PT 2385,PT-2385
SCHEMBL16555810
UNII-6O16716DXP
ZINC230453533
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| Structure |
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| Formula |
C17H12F3NO4S
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| Molecular Weight |
383.347
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12
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| InChI |
InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
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| InChIKey |
ONBSHRSJOPSEGS-INIZCTEOSA-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
Protein ID: PT03628, Endothelial PAS domain-containing protein 1
Clinical Information about the Compound
Drug 1 ( PT2385 )
| Drug Name | PT2385 | ||
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| Company | Peloton Therapeutics Dallas, TX | ||
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