General Information of the Compound
| Compound ID |
CP0542518
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| Compound Name |
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H29ClN4OS
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| Molecular Weight |
445.032
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| Canonical SMILES |
Cc1sc2nc(CCCCCN3CCN(CC3)c3cccc(Cl)c3)[nH]c(=O)c2c1C
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| InChI |
InChI=1S/C23H29ClN4OS/c1-16-17(2)30-23-21(16)22(29)25-20(26-23)9-4-3-5-10-27-11-13-28(14-12-27)19-8-6-7-18(24)15-19/h6-8,15H,3-5,9-14H2,1-2H3,(H,25,26,29)
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| InChIKey |
CWBVWYGOIXVVNH-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