General Information of the Compound
| Compound ID |
CP0537534
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| Compound Name |
(3R)-1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H29NO3
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| Molecular Weight |
367.489
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CCOCCc2ccccc2Cc2ccccc2)C1
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| InChI |
InChI=1S/C23H29NO3/c25-23(26)22-11-6-13-24(18-22)14-16-27-15-12-20-9-4-5-10-21(20)17-19-7-2-1-3-8-19/h1-5,7-10,22H,6,11-18H2,(H,25,26)/t22-/m1/s1
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| InChIKey |
SHTCAROYCPQWRW-JOCHJYFZSA-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