General Information of the Compound
| Compound ID |
CP0519657
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C19H21FN6O3
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| Molecular Weight |
400.414
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| Canonical SMILES |
CNc1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2F)ncn1
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| InChI |
InChI=1S/C19H21FN6O3/c1-19(2,3)14-8-16(26-29-14)25-18(27)24-11-5-6-13(12(20)7-11)28-17-9-15(21-4)22-10-23-17/h5-10H,1-4H3,(H,21,22,23)(H2,24,25,26,27)
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| InChIKey |
VTRJQWKTTGDUEF-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