General Information of the Compound
| Compound ID |
CP0427231
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| Compound Name |
2-[[(1R,2R)-2-naphthalen-2-ylcyclopropanecarbonyl]amino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1
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| InChI |
InChI=1S/C21H21NO3/c23-20(22-19-8-4-3-7-16(19)21(24)25)18-12-17(18)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,9-11,17-18H,3-4,7-8,12H2,(H,22,23)(H,24,25)/t17-,18+/m0/s1
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| InChIKey |
MCKFNFNXVNTBNR-ZWKOTPCHSA-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