General Information of the Compound
| Compound ID |
CP0845523
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| Compound Name |
4-Methyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-phenyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C27H29N5OS
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| Molecular Weight |
471.63
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5scnc5C)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C27H29N5OS/c1-19-9-10-23-24(29-19)7-4-8-25(23)32-15-13-31(14-16-32)12-11-21-5-3-6-22(17-21)30-27(33)26-20(2)28-18-34-26/h3-10,17-18H,11-16H2,1-2H3,(H,30,33)
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| InChIKey |
JAGDCXFKDMXWPY-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D