General Information of the Compound
| Compound ID |
CP0057695
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| Compound Name |
3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-3-methoxyphenyl)-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C21H19N5O2S
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| Molecular Weight |
405.483
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| Canonical SMILES |
COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1csc2ncnc(N)c12
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| InChI |
InChI=1S/C21H19N5O2S/c1-12-4-3-5-13(8-12)25-21(27)26-14-6-7-15(17(9-14)28-2)16-10-29-20-18(16)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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| InChIKey |
AUEDINJRBZYSTK-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