General Information of the Compound
| Compound ID |
CP0000429
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| Compound Name |
[(2S)-1-methylpyrrolidin-2-yl]methyl benzoate
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| Structure |
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| Formula |
C13H17NO2
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| Molecular Weight |
219.284
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| Canonical SMILES |
CN1CCC[C@H]1COC(=O)c1ccccc1
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| InChI |
InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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| InChIKey |
PXVQMUATEFMGFD-LBPRGKRZSA-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