General Information of the Compound
| Compound ID |
CP0862307
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| Compound Name |
5-Fluoro-2-(2-isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C21H22FNO4
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| Molecular Weight |
371.408
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1OC(C)C
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| InChI |
InChI=1S/C21H22FNO4/c1-12(2)27-18-13(3)5-4-6-17(18)19(24)23-21(20(25)26)10-14-7-8-16(22)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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| InChIKey |
JJAGIHLMZAAAQP-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