General Information of the Compound
| Compound ID |
CP0951421
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| Compound Name |
2-(2-Isopropoxy-3-methyl-benzoylamino)-5,6-dimethyl-indan-2-carboxylic acid
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| Structure |
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| Formula |
C23H27NO4
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| Molecular Weight |
381.472
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| Canonical SMILES |
Cc1cc2c(cc1C)CC(NC(=O)c1cccc(C)c1OC(C)C)(C(=O)O)C2
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| InChI |
InChI=1S/C23H27NO4/c1-13(2)28-20-14(3)7-6-8-19(20)21(25)24-23(22(26)27)11-17-9-15(4)16(5)10-18(17)12-23/h6-10,13H,11-12H2,1-5H3,(H,24,25)(H,26,27)
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| InChIKey |
BBKJUWRSHIGUQY-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