General Information of the Compound
| Compound ID |
CP0952123
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| Compound Name |
2-(2-Allyloxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C21H21NO4
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| Molecular Weight |
351.402
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| Canonical SMILES |
C=CCOc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
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| InChI |
InChI=1S/C21H21NO4/c1-3-11-26-18-14(2)7-6-10-17(18)19(23)22-21(20(24)25)12-15-8-4-5-9-16(15)13-21/h3-10H,1,11-13H2,2H3,(H,22,23)(H,24,25)
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| InChIKey |
BGHPCLFHLVTPQG-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