General Information of the Compound
| Compound ID |
CP0000431
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| Compound Name |
[(2S)-1-methylpyrrolidin-2-yl]methyl 6-phenylmethoxypyridine-3-carboxylate
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| Structure |
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| Formula |
C19H22N2O3
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| Molecular Weight |
326.396
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| Canonical SMILES |
CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1
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| InChI |
InChI=1S/C19H22N2O3/c1-21-11-5-8-17(21)14-24-19(22)16-9-10-18(20-12-16)23-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
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| InChIKey |
PKQIBCQLDRUHEO-KRWDZBQOSA-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