General Information of the Compound
| Compound ID |
CP0422047
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| Compound Name |
3-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H28N4OS
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| Molecular Weight |
432.593
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| Canonical SMILES |
Cn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
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| InChI |
InChI=1S/C25H28N4OS/c1-27-22(26-23-20-11-5-6-12-21(20)31-24(23)25(27)30)13-7-8-14-28-15-17-29(18-16-28)19-9-3-2-4-10-19/h2-6,9-12H,7-8,13-18H2,1H3
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| InChIKey |
NJEHVLUSFSVOFK-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