General Information of the Compound
| Compound ID |
CP0498453
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]urea
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| Structure |
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| Formula |
C23H21N5O3S
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| Molecular Weight |
447.52
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(O)ccc32)no1
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| InChI |
InChI=1S/C23H21N5O3S/c1-23(2,3)19-11-20(27-31-19)26-21(30)24-14-6-4-13(5-7-14)16-12-28-17-9-8-15(29)10-18(17)32-22(28)25-16/h4-12,29H,1-3H3,(H2,24,26,27,30)
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| InChIKey |
GREBSQQIJHEOEL-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