General Information of the Compound
| Compound ID |
CP0543353
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| Compound Name |
US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-(1-methyl-1H-pyrazol-3-yl)-5-(thiophen-3-yl)-3,4-dihydropyrimidin-2(1H)-one
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| Structure |
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| Formula |
C20H19N5O5S
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| Molecular Weight |
441.469
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| Canonical SMILES |
CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1
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| InChI |
InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)/t17-/m0/s1
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| InChIKey |
DONZBYIZBMQWPQ-KRWDZBQOSA-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