General Information of the Compound
| Compound ID |
CP0239666
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| Compound Name |
(4-methoxy-3-(thiazol-2-ylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H20N4O2S
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| Molecular Weight |
404.495
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| Canonical SMILES |
COc1ccc(cc1C#Cc1nccs1)C(=O)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C22H20N4O2S/c1-28-19-7-5-18(16-17(19)6-8-21-24-10-15-29-21)22(27)26-13-11-25(12-14-26)20-4-2-3-9-23-20/h2-5,7,9-10,15-16H,11-14H2,1H3
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| InChIKey |
RCQGDNPNQINBIG-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