General Information of the Compound
| Compound ID |
CP0967956
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| Compound Name |
2-(2-sec-Butoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H25NO4
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| Molecular Weight |
367.445
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| Canonical SMILES |
CCC(C)Oc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
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| InChI |
InChI=1S/C22H25NO4/c1-4-15(3)27-19-14(2)8-7-11-18(19)20(24)23-22(21(25)26)12-16-9-5-6-10-17(16)13-22/h5-11,15H,4,12-13H2,1-3H3,(H,23,24)(H,25,26)
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| InChIKey |
VEICCNMVJHBRAF-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