General Information of the Compound
| Compound ID |
CP0663915
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| Compound Name |
4-((S)-1-((R)-1-(2-phenoxyethyl)piperidine-2-carboxamido)ethyl)benzoic acid hydrochloride
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| Structure |
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| Formula |
C23H29ClN2O4
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| Molecular Weight |
432.948
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| Canonical SMILES |
C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1.Cl
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| InChI |
InChI=1S/C23H28N2O4.ClH/c1-17(18-10-12-19(13-11-18)23(27)28)24-22(26)21-9-5-6-14-25(21)15-16-29-20-7-3-2-4-8-20;/h2-4,7-8,10-13,17,21H,5-6,9,14-16H2,1H3,(H,24,26)(H,27,28);1H/t17-,21+;/m0./s1
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| InChIKey |
FMJSLPJYTAKVLJ-CQVJSGDESA-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