General Information of the Compound
| Compound ID |
CP0396437
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| Compound Name |
US8906933, (R)-3-ethoxy-2-hydroxy-5-(2-oxo-6-(pyridin-3-yl)-5-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidin-4-yl)benzoic acid
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| Structure |
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| Formula |
C22H21N3O5S
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| Molecular Weight |
439.493
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| Canonical SMILES |
CCOc1cc(cc(C(O)=O)c1O)[C@H]1NC(=O)NC(C1c1ccsc1)c1cccnc1
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| InChI |
InChI=1S/C22H21N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17-19,26H,2H2,1H3,(H,27,28)(H2,24,25,29)/t17?,18?,19-/m1/s1
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| InChIKey |
LZWHVDIVHJSYTE-CTWPCTMYSA-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