General Information of the Compound
| Compound ID |
CP0514142
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| Compound Name |
6-(4-aminophenyl)-N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C25H16ClF3N4OS
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| Molecular Weight |
512.944
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| Canonical SMILES |
Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1
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| InChI |
InChI=1S/C25H16ClF3N4OS/c26-20-11-17(8-9-21(20)34-18-3-1-2-15(10-18)25(27,28)29)33-23-19-12-22(35-24(19)32-13-31-23)14-4-6-16(30)7-5-14/h1-13H,30H2,(H,31,32,33)
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| InChIKey |
DENWVAYZRYZBAE-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