General Information of the Compound
| Compound ID |
CP0188201
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| Compound Name |
3-[4-(4-chlorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-ynamide
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| Structure |
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| Formula |
C27H25ClN2O
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| Molecular Weight |
428.963
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(cc1)C#CC(=O)Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C27H25ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,18-20H2,(H,29,31)
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| InChIKey |
JNOSYXLLGUQJNO-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