General Information of the Compound
| Compound ID |
CP0497743
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| Compound Name |
2-[3-(4-Quinolin-2-ylpiperazin-1-yl)propylthio]-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H29N5OS2
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| Molecular Weight |
491.686
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| Canonical SMILES |
O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12
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| InChI |
InChI=1S/C26H29N5OS2/c32-24-23-19-7-2-4-9-21(19)34-25(23)29-26(28-24)33-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)27-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17H2,(H,28,29,32)
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| InChIKey |
LLZLRXCVMYYKBH-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: PT02227, 5-hydroxytryptamine receptor 3A