General Information of the Compound
| Compound ID |
CP0455695
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| Compound Name |
2-[4-(4-benzylpiperidin-1-yl)butyl]-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H29N3OS
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| Molecular Weight |
431.605
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| Canonical SMILES |
O=c1[nH]c(CCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
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| InChI |
InChI=1S/C26H29N3OS/c30-26-25-24(21-10-4-5-11-22(21)31-25)27-23(28-26)12-6-7-15-29-16-13-20(14-17-29)18-19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2,(H,27,28,30)
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| InChIKey |
MICVWHTYJAERJN-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