General Information of the Compound
| Compound ID |
CP0494080
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| Compound Name |
3-(4-Chloro-phenyl)-2-[2-(4-chloro-phenylamino)-4-methyl-thiazol-5-yl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C24H16Cl2N4OS
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| Molecular Weight |
479.392
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| Canonical SMILES |
Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H16Cl2N4OS/c1-14-21(32-24(27-14)28-17-10-6-15(25)7-11-17)22-29-20-5-3-2-4-19(20)23(31)30(22)18-12-8-16(26)9-13-18/h2-13H,1H3,(H,27,28)
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| InChIKey |
JTWNFXOZYFFYDW-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