General Information of the Compound
| Compound ID |
CP0284909
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| Compound Name |
1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-cyanophenyl)urea
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| Structure |
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| Formula |
C21H15N5OS
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| Molecular Weight |
385.452
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| Canonical SMILES |
Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(c4)C#N)cc3)c12
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| InChI |
InChI=1S/C21H15N5OS/c22-11-13-2-1-3-16(10-13)26-21(27)25-15-6-4-14(5-7-15)17-12-28-18-8-9-24-20(23)19(17)18/h1-10,12H,(H2,23,24)(H2,25,26,27)
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| InChIKey |
CBLOBUUEPPNIMB-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