General Information of the Compound
| Compound ID |
CP0555203
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| Compound Name |
3-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C25H33N3O2S
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| Molecular Weight |
439.625
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3sc2=O)CC1
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| InChI |
InChI=1S/C25H33N3O2S/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
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| InChIKey |
NYJOPJZTQHSSGZ-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: PT00941, 5-hydroxytryptamine receptor 7