General Information of the Compound
| Compound ID |
CP0381725
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| Compound Name |
6-(4-chlorophenyl)-3-[1-(4-ethoxyphenyl)-2-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H21ClN4O2S
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| Molecular Weight |
513.022
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| Canonical SMILES |
CCOc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H21ClN4O2S/c1-3-35-22-11-8-20(9-12-22)33-17(2)31-23-14-21(10-13-25(23)33)32-16-30-24-15-26(36-27(24)28(32)34)18-4-6-19(29)7-5-18/h4-16H,3H2,1-2H3
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| InChIKey |
IUOQIICLQXRPBG-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