General Information of the Compound
| Compound ID |
CP0160595
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| Compound Name |
3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-3-chlorophenyl)-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C20H16ClN5OS
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| Molecular Weight |
409.902
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(Cl)c2)c1
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| InChI |
InChI=1S/C20H16ClN5OS/c1-11-3-2-4-12(7-11)25-20(27)26-13-5-6-14(16(21)8-13)15-9-28-19-17(15)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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| InChIKey |
RARJZQNSSRFGEU-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