General Information of the Compound
| Compound ID |
CP0718063
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| Compound Name |
(2R)-2-((S)-1-(4-carboxyphenyl)ethylcarbamoyl)-1-(2-(4-fluorophenoxy)ethyl)piperidinium chloride
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| Structure |
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| Formula |
C23H28ClFN2O4
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| Molecular Weight |
450.938
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| Canonical SMILES |
C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1.Cl
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| InChI |
InChI=1S/C23H27FN2O4.ClH/c1-16(17-5-7-18(8-6-17)23(28)29)25-22(27)21-4-2-3-13-26(21)14-15-30-20-11-9-19(24)10-12-20;/h5-12,16,21H,2-4,13-15H2,1H3,(H,25,27)(H,28,29);1H/t16-,21+;/m0./s1
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| InChIKey |
ZFAWZYKQRSYYLC-SWSMCDPZSA-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