General Information of the Compound
| Compound ID |
CP0141727
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| Compound Name |
3-(4-Ethyl-phenyl)-9-[methyl-(2-pyridin-2-yl-ethyl)-amino]-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H23N5OS
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| Molecular Weight |
441.56
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| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCc4ccccn4)c23)c1=O
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| InChI |
InChI=1S/C25H23N5OS/c1-3-17-7-9-19(10-8-17)30-16-28-22-21-20(11-14-27-24(21)32-23(22)25(30)31)29(2)15-12-18-6-4-5-13-26-18/h4-11,13-14,16H,3,12,15H2,1-2H3
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| InChIKey |
HXMIBQAMESFQGX-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