General Information of the Compound
| Compound ID |
CP0967639
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| Compound Name |
5-Cyano-2-(2-isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H22N2O4
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| Molecular Weight |
378.428
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C#N)cc3C2)c1OC(C)C
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| InChI |
InChI=1S/C22H22N2O4/c1-13(2)28-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)10-16-8-7-15(12-23)9-17(16)11-22/h4-9,13H,10-11H2,1-3H3,(H,24,25)(H,26,27)
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| InChIKey |
SCTROFAFVZDPGV-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