General Information of the Compound
| Compound ID |
CP0548440
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| Compound Name |
1-(3-chlorophenyl)-3-[5-[2-[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C22H20ClFN6O2S
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| Molecular Weight |
486.96
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| Canonical SMILES |
CCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)c2cc1F
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| InChI |
InChI=1S/C22H20ClFN6O2S/c1-2-32-19-10-18-16(9-17(19)24)20(28-12-27-18)25-7-6-15-11-26-22(33-15)30-21(31)29-14-5-3-4-13(23)8-14/h3-5,8-12H,2,6-7H2,1H3,(H,25,27,28)(H2,26,29,30,31)
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| InChIKey |
ODOLWWHPGCZIES-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