General Information of the Compound
| Compound ID |
CP0517515
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| Compound Name |
2-(4-nitrophenyl)-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one
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| Structure |
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| Formula |
C14H8N2O4S
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| Molecular Weight |
300.295
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C1=N\C(=C\c2cccs2)C(=O)O1
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| InChI |
InChI=1S/C14H8N2O4S/c17-14-12(8-11-2-1-7-21-11)15-13(20-14)9-3-5-10(6-4-9)16(18)19/h1-8H/b12-8+
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| InChIKey |
RLTNIWJCLHLMDP-XYOKQWHBSA-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