General Information of the Compound
| Compound ID |
CP0446406
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-1-methyl-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C22H24ClFN4O3S
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| Molecular Weight |
478.977
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=NC1c1ccc(F)cc1Cl)c1nccs1
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| InChI |
InChI=1S/C22H24ClFN4O3S/c1-3-31-22(29)18-17(13-28-7-9-30-10-8-28)27(2)20(21-25-6-11-32-21)26-19(18)15-5-4-14(24)12-16(15)23/h4-6,11-12,19H,3,7-10,13H2,1-2H3
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| InChIKey |
RZRJWNWBJFDZHS-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