General Information of the Compound
| Compound ID |
CP0719709
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| Compound Name |
(2R)-2-(4-carboxybenzylcarbamoyl)-1-(2-phenoxyethyl)piperidinium chloride
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| Structure |
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| Formula |
C22H27ClN2O4
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| Molecular Weight |
418.921
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| Canonical SMILES |
Cl.O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1
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| InChI |
InChI=1S/C22H26N2O4.ClH/c25-21(23-16-17-9-11-18(12-10-17)22(26)27)20-8-4-5-13-24(20)14-15-28-19-6-2-1-3-7-19;/h1-3,6-7,9-12,20H,4-5,8,13-16H2,(H,23,25)(H,26,27);1H/t20-;/m1./s1
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| InChIKey |
FWCSGECKXVYLNG-VEIFNGETSA-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