General Information of the Compound
| Compound ID |
CP0545251
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| Compound Name |
ethyl 4-[4-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C28H26F4N4O3S
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| Molecular Weight |
574.6
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1-c1ccc(cc1)C(F)(F)F)c1nccs1
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| InChI |
InChI=1S/C28H26F4N4O3S/c1-2-39-27(37)23-22(16-36-10-12-38-13-11-36)34-25(26-33-9-14-40-26)35-24(23)20-8-7-19(29)15-21(20)17-3-5-18(6-4-17)28(30,31)32/h3-9,14-15,24H,2,10-13,16H2,1H3,(H,34,35)
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| InChIKey |
FLQXMBZOVQBFNW-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