General Information of the Compound
| Compound ID |
CP0408984
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| Compound Name |
ethyl 4-[4-fluoro-2-(4-methoxyphenyl)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 |
C28H29FN4O4S
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| Molecular Weight |
536.629
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1-c1ccc(OC)cc1)c1nccs1
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| InChI |
InChI=1S/C28H29FN4O4S/c1-3-37-28(34)24-23(17-33-11-13-36-14-12-33)31-26(27-30-10-15-38-27)32-25(24)21-9-6-19(29)16-22(21)18-4-7-20(35-2)8-5-18/h4-10,15-16,25H,3,11-14,17H2,1-2H3,(H,31,32)
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| InChIKey |
FDYDAIWYKWFPBW-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