General Information of the Compound
| Compound ID |
CP0295966
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| Compound Name |
3-(4-{4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C22H18F3N5OS
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| Molecular Weight |
457.481
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| Canonical SMILES |
CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H18F3N5OS/c1-2-16-17(18-19(26)27-11-28-20(18)32-16)12-6-8-14(9-7-12)29-21(31)30-15-5-3-4-13(10-15)22(23,24)25/h3-11H,2H2,1H3,(H2,26,27,28)(H2,29,30,31)
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| InChIKey |
RRDYFNCNBSDAMX-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