General Information of the Compound
| Compound ID |
CP0852327
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| Compound Name |
(2R)-2-((S)-1-(4-carboxyphenyl)propylcarbamoyl)-1-(2-phenoxyethyl)piperidinium chloride
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| Structure |
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| Formula |
C24H31ClN2O4
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| Molecular Weight |
446.975
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| Canonical SMILES |
CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1.Cl
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| InChI |
InChI=1S/C24H30N2O4.ClH/c1-2-21(18-11-13-19(14-12-18)24(28)29)25-23(27)22-10-6-7-15-26(22)16-17-30-20-8-4-3-5-9-20;/h3-5,8-9,11-14,21-22H,2,6-7,10,15-17H2,1H3,(H,25,27)(H,28,29);1H/t21-,22+;/m0./s1
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| InChIKey |
FMPFCOAFSRWRFJ-UMIAIAFLSA-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