General Information of the Compound
| Compound ID |
CP0494141
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| Compound Name |
1-(3-chlorophenyl)-3-[5-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
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| Formula |
C21H19ClN6O2S
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| Molecular Weight |
454.943
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| Canonical SMILES |
COc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
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| InChI |
InChI=1S/C21H19ClN6O2S/c1-30-15-5-6-17-18(10-15)25-12-26-19(17)23-8-7-16-11-24-21(31-16)28-20(29)27-14-4-2-3-13(22)9-14/h2-6,9-12H,7-8H2,1H3,(H,23,25,26)(H2,24,27,28,29)
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| InChIKey |
HJKIGCOQVAUXEZ-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor