General Information of the Compound
| Compound ID |
CP0422309
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| Compound Name |
2-[4-(4-benzylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H26N4OS
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| Molecular Weight |
382.533
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| Canonical SMILES |
O=c1[nH]c(CCCCN2CCN(Cc3ccccc3)CC2)nc2ccsc12
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| InChI |
InChI=1S/C21H26N4OS/c26-21-20-18(9-15-27-20)22-19(23-21)8-4-5-10-24-11-13-25(14-12-24)16-17-6-2-1-3-7-17/h1-3,6-7,9,15H,4-5,8,10-14,16H2,(H,22,23,26)
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| InChIKey |
UQMYUORMLVETCV-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