General Information of the Compound
| Compound ID |
CP0408817
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| Compound Name |
3-[2-(4-morpholinylmethyl)-6-quinolinyl]-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C27H21F3N4O2S
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| Molecular Weight |
522.552
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C27H21F3N4O2S/c28-27(29,30)19-4-1-17(2-5-19)24-14-23-25(37-24)26(35)34(16-31-23)21-7-8-22-18(13-21)3-6-20(32-22)15-33-9-11-36-12-10-33/h1-8,13-14,16H,9-12,15H2
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| InChIKey |
BRFIOHPKDKTWFM-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