General Information of the Compound
| Compound ID |
CP0489737
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| Compound Name |
6-fluoro-2-[(2-methoxyphenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C21H17FN2O2S2
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| Molecular Weight |
412.511
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| Canonical SMILES |
COc1ccccc1CSc1nc2ccc(F)cc2c(=O)n1Cc1cccs1
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| InChI |
InChI=1S/C21H17FN2O2S2/c1-26-19-7-3-2-5-14(19)13-28-21-23-18-9-8-15(22)11-17(18)20(25)24(21)12-16-6-4-10-27-16/h2-11H,12-13H2,1H3
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| InChIKey |
UFBDMHSNQCAFIT-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