General Information of the Compound
| Compound ID |
CP0422306
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| Compound Name |
2-[3-(4-benzylpiperidin-1-yl)propylsulfanyl]-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H27N3OS2
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| Molecular Weight |
449.645
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| Canonical SMILES |
O=c1[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
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| InChI |
InChI=1S/C25H27N3OS2/c29-24-23-22(20-9-4-5-10-21(20)31-23)26-25(27-24)30-16-6-13-28-14-11-19(12-15-28)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,26,27,29)
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| InChIKey |
YWXWHMFUKATDEE-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