General Information of the Compound
| Compound ID |
CP0514794
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| Compound Name |
2-[[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Formula |
C26H27N3O4S
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| Molecular Weight |
477.586
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1
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| InChI |
InChI=1S/C26H27N3O4S/c1-33-24-8-4-3-7-23(24)28-16-14-27(15-17-28)18-20-10-12-21(13-11-20)19-29-26(30)22-6-2-5-9-25(22)34(29,31)32/h2-13H,14-19H2,1H3
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| InChIKey |
SZOQFKJMAIDYBY-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
Protein ID: PT01005, D(2) dopamine receptor