General Information of the Compound
| Compound ID |
CP0429435
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| Compound Name |
3-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]pentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H34N4O2S
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| Molecular Weight |
454.64
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1
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| InChI |
InChI=1S/C25H34N4O2S/c1-4-31-22-11-7-6-10-21(22)28-16-14-27(15-17-28)12-8-5-9-13-29-18-26-24-23(25(29)30)19(2)20(3)32-24/h6-7,10-11,18H,4-5,8-9,12-17H2,1-3H3
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| InChIKey |
ZZBUJMUPYXVJGM-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