General Information of the Compound
| Compound ID |
CP0429430
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| Compound Name |
5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H28N4OS
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| Molecular Weight |
396.56
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| Canonical SMILES |
Cc1sc2nc(CCCCN3CCN(CC3)c3ccccc3)[nH]c(=O)c2c1C
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| InChI |
InChI=1S/C22H28N4OS/c1-16-17(2)28-22-20(16)21(27)23-19(24-22)10-6-7-11-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,23,24,27)
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| InChIKey |
AXGYSYZIFFKCAU-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