General Information of the Compound
| Compound ID |
CP0513880
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| Compound Name |
ethyl 4-(4-fluoro-2-phenylphenyl)-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 |
C27H27FN4O3S
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| Molecular Weight |
506.603
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1-c1ccccc1)c1nccs1
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| InChI |
InChI=1S/C27H27FN4O3S/c1-2-35-27(33)23-22(17-32-11-13-34-14-12-32)30-25(26-29-10-15-36-26)31-24(23)20-9-8-19(28)16-21(20)18-6-4-3-5-7-18/h3-10,15-16,24H,2,11-14,17H2,1H3,(H,30,31)
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| InChIKey |
RGZDIZCMNGDABB-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
Protein ID: PT00295, Capsid protein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2