General Information of the Compound
| Compound ID |
CP0500569
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| Compound Name |
3-[2-(4-benzo[b]thiophen-7-yl-piperazin-1-yl)-ethyl]-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H27N5OS2
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| Molecular Weight |
465.648
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| Canonical SMILES |
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccsc34)c(=O)c21
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| InChI |
InChI=1S/C24H27N5OS2/c1-26-7-5-18-20(15-26)32-23-21(18)24(30)29(16-25-23)13-10-27-8-11-28(12-9-27)19-4-2-3-17-6-14-31-22(17)19/h2-4,6,14,16H,5,7-13,15H2,1H3
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| InChIKey |
JNACHWYMQYDBPA-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