General Information of the Compound
| Compound ID |
CP0162642
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| Compound Name |
1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-ethylphenyl)urea
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| Structure |
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| Formula |
C22H20N4OS
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| Molecular Weight |
388.496
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| Canonical SMILES |
CCc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ccnc(N)c23)c1
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| InChI |
InChI=1S/C22H20N4OS/c1-2-14-4-3-5-17(12-14)26-22(27)25-16-8-6-15(7-9-16)18-13-28-19-10-11-24-21(23)20(18)19/h3-13H,2H2,1H3,(H2,23,24)(H2,25,26,27)
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| InChIKey |
VCBUOQYGDSWJSM-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