General Information of the Compound
| Compound ID |
CP0515125
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| Compound Name |
4-(pyrimidin-4-ylamino)-N-(6-(trifluoromethyl)-4H-chromeno[4,3-d]thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C22H14F3N5O2S
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| Molecular Weight |
469.448
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| Canonical SMILES |
FC(F)(F)c1cccc2-c3nc(NC(=O)c4ccc(Nc5ccncn5)cc4)sc3COc12
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| InChI |
InChI=1S/C22H14F3N5O2S/c23-22(24,25)15-3-1-2-14-18-16(10-32-19(14)15)33-21(29-18)30-20(31)12-4-6-13(7-5-12)28-17-8-9-26-11-27-17/h1-9,11H,10H2,(H,26,27,28)(H,29,30,31)
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| InChIKey |
LJBURNJKOOYGMR-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