General Information of the Compound
| Compound ID |
CP0400005
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| Compound Name |
5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
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| Structure |
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| Formula |
C19H17ClN2O2S2
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| Molecular Weight |
404.944
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C19H17ClN2O2S2/c1-13-6-8-16(9-7-13)26(23,24)18-17(20)25-19(21-18)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3
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| InChIKey |
SMUDPLMWQILIOO-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7