General Information of the Compound
| Compound ID |
CP0564770
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| Compound Name |
1-[4-(2-phenylphenyl)but-3-ynyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23NO2
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| Molecular Weight |
333.431
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| Canonical SMILES |
OC(=O)C1CCCN(CCC#Cc2ccccc2-c2ccccc2)C1
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| InChI |
InChI=1S/C22H23NO2/c24-22(25)20-13-8-16-23(17-20)15-7-6-12-19-11-4-5-14-21(19)18-9-2-1-3-10-18/h1-5,9-11,14,20H,7-8,13,15-17H2,(H,24,25)
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| InChIKey |
RJCQFLGQMIHJSL-UHFFFAOYSA-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