General Information of the Compound
| Compound ID |
CP0967957
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| Compound Name |
2-(2-Isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC(C)C
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| InChI |
InChI=1S/C21H23NO4/c1-13(2)26-18-14(3)7-6-10-17(18)19(23)22-21(20(24)25)11-15-8-4-5-9-16(15)12-21/h4-10,13H,11-12H2,1-3H3,(H,22,23)(H,24,25)
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| InChIKey |
FDPUDIAMESRREB-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