General Information of the Compound
| Compound ID |
CP0869103
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| Compound Name |
2-(2-Isopropoxy-3-methyl-benzoylamino)-indan-2,5-dicarboxylic acid
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| Structure |
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| Formula |
C22H23NO6
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| Molecular Weight |
397.427
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC(C)C
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| InChI |
InChI=1S/C22H23NO6/c1-12(2)29-18-13(3)5-4-6-17(18)19(24)23-22(21(27)28)10-15-8-7-14(20(25)26)9-16(15)11-22/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)
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| InChIKey |
NHTKSQOXJVOMKE-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