General Information of the Compound
| Compound ID |
CP0063147
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| Compound Name |
3-(4-{4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C22H21N5OS/c1-3-17-18(19-20(23)24-12-25-21(19)29-17)14-7-9-15(10-8-14)26-22(28)27-16-6-4-5-13(2)11-16/h4-12H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,28)
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| InChIKey |
NJPIJBWGCOBYBH-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