General Information of the Compound
| Compound ID |
CP0444135
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| Compound Name |
1-[4-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]thieno[2,3-d]pyrimidin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C32H28ClF3N6O3S
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| Molecular Weight |
669.129
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| Canonical SMILES |
FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NCCN4CCOCC4)cc3)cc2Cl)c1
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| InChI |
InChI=1S/C32H28ClF3N6O3S/c33-26-17-23(8-9-27(26)45-24-3-1-2-21(16-24)32(34,35)36)40-29-25-18-28(46-30(25)39-19-38-29)20-4-6-22(7-5-20)41-31(43)37-10-11-42-12-14-44-15-13-42/h1-9,16-19H,10-15H2,(H2,37,41,43)(H,38,39,40)
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| InChIKey |
TWDYINDEKINRQQ-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