General Information of the Compound
| Compound ID |
CP0146660
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| Compound Name |
5-(4-chlorophenyl)-3-fluoro-2-[2-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C27H26ClFN2O
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| Molecular Weight |
448.969
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| Canonical SMILES |
CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C27H26ClFN2O/c1-20-12-14-31(15-13-20)16-17-32-25-9-2-21(3-10-25)4-11-27-26(29)18-23(19-30-27)22-5-7-24(28)8-6-22/h2-3,5-10,18-20H,12-17H2,1H3
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| InChIKey |
MABBTFRQYAXJAE-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