General Information of the Compound
| Compound ID |
CP0184990
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| Compound Name |
5-(4-chlorophenyl)-2-[2-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C27H27ClN2O
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| Molecular Weight |
430.979
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| Canonical SMILES |
CC1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C27H27ClN2O/c1-21-14-16-30(17-15-21)18-19-31-27-12-3-22(4-13-27)2-10-26-11-7-24(20-29-26)23-5-8-25(28)9-6-23/h3-9,11-13,20-21H,14-19H2,1H3
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| InChIKey |
UWQLUXHEVKAZSK-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