General Information of the Compound
| Compound ID |
CP0422046
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| Compound Name |
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H23ClN4OS
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| Molecular Weight |
402.951
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCc2nc3ccsc3c(=O)[nH]2)CC1
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| InChI |
InChI=1S/C20H23ClN4OS/c21-15-4-3-5-16(14-15)25-11-9-24(10-12-25)8-2-1-6-18-22-17-7-13-27-19(17)20(26)23-18/h3-5,7,13-14H,1-2,6,8-12H2,(H,22,23,26)
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| InChIKey |
LALWPGAEPPZUHO-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