General Information of the Compound
| Compound ID |
CP0400400
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| Compound Name |
ethyl N-[5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]-4-methyl-1,3-thiazol-2-yl]carbamate
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| Structure |
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| Formula |
C21H17ClN4O3S
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| Molecular Weight |
440.912
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| Canonical SMILES |
CCOC(=O)Nc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H17ClN4O3S/c1-3-29-21(28)25-20-23-12(2)17(30-20)18-24-16-7-5-4-6-15(16)19(27)26(18)14-10-8-13(22)9-11-14/h4-11H,3H2,1-2H3,(H,23,25,28)
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| InChIKey |
XPXJVVOSWOEDEI-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