General Information of the Compound
| Compound ID |
CP0344987
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| Compound Name |
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]sulfanylethanone
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| Structure |
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| Formula |
C23H24N4O3S
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| Molecular Weight |
436.537
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
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| InChI |
InChI=1S/C23H24N4O3S/c1-29-20-8-2-17(3-9-20)21(28)16-31-23-24-11-10-22(26-23)25-18-4-6-19(7-5-18)27-12-14-30-15-13-27/h2-11H,12-16H2,1H3,(H,24,25,26)
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| InChIKey |
PAFWXQKNFNRYSJ-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