General Information of the Compound
| Compound ID |
CP0529796
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(1-pyrrolidinylmethyl)-1-benzothien-5-yl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H20ClN3OS2
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| Molecular Weight |
478.042
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4sc(CN5CCCC5)cc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C25H20ClN3OS2/c26-18-5-3-16(4-6-18)23-13-21-24(32-23)25(30)29(15-27-21)19-7-8-22-17(11-19)12-20(31-22)14-28-9-1-2-10-28/h3-8,11-13,15H,1-2,9-10,14H2
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| InChIKey |
YUEOOJLKOJXWIA-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