General Information of the Compound
| Compound ID |
CP0002176
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| Compound Name |
[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate
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| Structure |
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| Formula |
C16H18N2O2
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| Molecular Weight |
270.332
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| Canonical SMILES |
CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
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| InChIKey |
TYTHSTLCRVNEAN-AWEZNQCLSA-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