General Information of the Compound
| Compound ID |
CP0538184
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(piperidin-1-ylmethyl)-1-benzothien-5-yl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C26H22ClN3OS2
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| Molecular Weight |
492.069
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4sc(CN5CCCCC5)cc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C26H22ClN3OS2/c27-19-6-4-17(5-7-19)24-14-22-25(33-24)26(31)30(16-28-22)20-8-9-23-18(12-20)13-21(32-23)15-29-10-2-1-3-11-29/h4-9,12-14,16H,1-3,10-11,15H2
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| InChIKey |
PVFOJNGXRJKDMG-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