General Information of the Compound
| Compound ID |
CP0862306
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| Compound Name |
2-(2-Cyclobutoxy-3-methyl-benzoylamino)-indan-2,5-dicarboxylic acid
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| Structure |
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| Formula |
C23H23NO6
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| Molecular Weight |
409.438
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC1CCC1
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| InChI |
InChI=1S/C23H23NO6/c1-13-4-2-7-18(19(13)30-17-5-3-6-17)20(25)24-23(22(28)29)11-15-9-8-14(21(26)27)10-16(15)12-23/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)
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| InChIKey |
CIWMJTYZCKJKOS-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