General Information of the Compound
| Compound ID |
CP0413234
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| Compound Name |
1-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)urea
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| Structure |
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| Formula |
C14H9ClN4O3S2
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| Molecular Weight |
380.838
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
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| InChI |
InChI=1S/C14H9ClN4O3S2/c15-12-6-5-11(24-12)10-7-23-14(17-10)18-13(20)16-8-1-3-9(4-2-8)19(21)22/h1-7H,(H2,16,17,18,20)
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| InChIKey |
RMIYBPCILDWTJZ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8