General Information of the Compound
| Compound ID |
CP0001043
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| Compound Name |
[(2S)-1-methylpyrrolidin-2-yl]methyl 4-phenylmethoxybenzoate
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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| InChIKey |
CSWXXYOKFXHTOD-SFHVURJKSA-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