General Information of the Compound
| Compound ID |
CP0485116
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| Compound Name |
1-(3-chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
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| Formula |
C20H16ClFN6OS
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| Molecular Weight |
442.907
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| Canonical SMILES |
Fc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
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| InChI |
InChI=1S/C20H16ClFN6OS/c21-12-2-1-3-14(8-12)27-19(29)28-20-24-10-15(30-20)6-7-23-18-16-5-4-13(22)9-17(16)25-11-26-18/h1-5,8-11H,6-7H2,(H,23,25,26)(H2,24,27,28,29)
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| InChIKey |
LPQVMJBOZXWART-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