General Information of the Compound
| Compound ID |
CP0478562
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| Compound Name |
(3S)-4-[[(4S)-5-ethoxycarbonyl-4-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23FN4O5S
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| Molecular Weight |
474.514
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1)c1nccs1
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| InChI |
InChI=1S/C22H23FN4O5S/c1-2-32-22(30)17-15(11-27-8-9-31-12-16(27)21(28)29)25-19(20-24-7-10-33-20)26-18(17)13-3-5-14(23)6-4-13/h3-7,10,16,18H,2,8-9,11-12H2,1H3,(H,25,26)(H,28,29)/t16-,18-/m0/s1
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| InChIKey |
LPGLAJMJNPFEEB-WMZOPIPTSA-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