General Information of the Compound
| Compound ID |
CP0424759
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| Compound Name |
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H14N6O3S
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| Molecular Weight |
418.438
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C20H14N6O3S/c27-19(14-1-5-15(6-2-14)23-18-9-10-21-12-22-18)25-20-24-17(11-30-20)13-3-7-16(8-4-13)26(28)29/h1-12H,(H,21,22,23)(H,24,25,27)
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| InChIKey |
FEQCYUASCOZMFK-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