General Information of the Compound
| Compound ID |
CP0378964
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| Compound Name |
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonyl-1,3-thiazole
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| Structure |
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| Formula |
C20H19ClN2O4S3
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| Molecular Weight |
483.036
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| Canonical SMILES |
CCS(=O)(=O)c1nc(c(s1)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H19ClN2O4S3/c1-2-29(24,25)20-22-18(30(26,27)17-9-7-16(21)8-10-17)19(28-20)23-12-11-14-5-3-4-6-15(14)13-23/h3-10H,2,11-13H2,1H3
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| InChIKey |
XWBNXNPYMCYTKF-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