General Information of the Compound
| Compound ID |
CP0524916
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| Compound Name |
5-amino-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C21H15F3N6O2S
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| Molecular Weight |
472.452
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| Canonical SMILES |
NC(=O)c1sc2ncnc(-c3cccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c2c1N
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| InChI |
InChI=1S/C21H15F3N6O2S/c22-21(23,24)11-4-6-12(7-5-11)29-20(32)30-13-3-1-2-10(8-13)16-14-15(25)17(18(26)31)33-19(14)28-9-27-16/h1-9H,25H2,(H2,26,31)(H2,29,30,32)
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| InChIKey |
WIXLTAQIFOIEBA-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