General Information of the Compound
| Compound ID |
CP0551169
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea
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| Structure |
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| Formula |
C21H20N6O2S
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| Molecular Weight |
420.498
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| Canonical SMILES |
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4nccs4)cc3)ncnc2c1
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| InChI |
InChI=1S/C21H20N6O2S/c1-27(2)15-5-8-17-18(11-15)24-13-25-20(17)29-16-6-3-14(4-7-16)26-21(28)23-12-19-22-9-10-30-19/h3-11,13H,12H2,1-2H3,(H2,23,26,28)
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| InChIKey |
YGJHCVYSLKGIDZ-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