General Information of the Compound
| Compound ID |
CP0400543
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| Compound Name |
4-(3-chloro-4-fluoroanilino)-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
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| Structure |
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| Formula |
C18H12ClFN4OS
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| Molecular Weight |
386.839
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| Canonical SMILES |
Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1
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| InChI |
InChI=1S/C18H12ClFN4OS/c1-9-4-10(15-7-21-8-26-15)5-12-16(9)23-18(25)24-17(12)22-11-2-3-14(20)13(19)6-11/h2-8H,1H3,(H2,22,23,24,25)
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| InChIKey |
MQZXDPKDXSHACX-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