General Information of the Compound
| Compound ID |
CP0427263
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| Compound Name |
2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C20H21NO3
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| Molecular Weight |
323.392
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C20H21NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2,(H,21,22)(H,23,24)
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| InChIKey |
VITRCNYIRMGWGM-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