General Information of the Compound
| Compound ID |
CP0873694
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| Compound Name |
2-(2-cyano-4-(3-(1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)phenoxy)acetic acid
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| Structure |
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| Formula |
C22H20N4O5
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| Molecular Weight |
420.425
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| Canonical SMILES |
N#Cc1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1OCC(=O)O
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| InChI |
InChI=1S/C22H20N4O5/c23-11-14-10-13(4-7-19(14)30-12-20(28)29)22-25-21(26-31-22)17-3-1-2-16-15(17)5-6-18(16)24-8-9-27/h1-4,7,10,18,24,27H,5-6,8-9,12H2,(H,28,29)
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| InChIKey |
FTPUHQGNNRJYDT-UHFFFAOYSA-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