General Information of the Compound
| Compound ID |
CP0379318
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| Compound Name |
3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C23H29N3O2S
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| Molecular Weight |
411.571
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1
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| InChI |
InChI=1S/C23H29N3O2S/c1-28-21-11-5-3-9-19(21)25-17-15-24(16-18-25)13-7-2-8-14-26-20-10-4-6-12-22(20)29-23(26)27/h3-6,9-12H,2,7-8,13-18H2,1H3
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| InChIKey |
JWGIAFVZOMFXLK-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