General Information of the Compound
| Compound ID |
CP0554665
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| Compound Name |
N-[3-[(4-nitrophenyl)carbamothioylamino]phenyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H15N5O3S
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| Molecular Weight |
393.428
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=S)Nc2cccc(NC(=O)c3ccccn3)c2)cc1
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| InChI |
InChI=1S/C19H15N5O3S/c25-18(17-6-1-2-11-20-17)21-14-4-3-5-15(12-14)23-19(28)22-13-7-9-16(10-8-13)24(26)27/h1-12H,(H,21,25)(H2,22,23,28)
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| InChIKey |
UKMDLXMWNAOQJX-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