General Information of the Compound
| Compound ID |
CP0471903
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| Compound Name |
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H24N4OS
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| Molecular Weight |
368.506
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| Canonical SMILES |
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccsc12
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| InChI |
InChI=1S/C20H24N4OS/c25-20-19-17(9-15-26-19)21-18(22-20)8-4-5-10-23-11-13-24(14-12-23)16-6-2-1-3-7-16/h1-3,6-7,9,15H,4-5,8,10-14H2,(H,21,22,25)
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| InChIKey |
CZCDEUYGDBIBIO-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