General Information of the Compound
| Compound ID |
CP0446603
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| Compound Name |
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C23H20N2O3S2
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| Molecular Weight |
436.558
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2ccccc2c(=O)n1Cc1cccs1)C(C)=O
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| InChI |
InChI=1S/C23H20N2O3S2/c1-15(26)16-9-10-21(28-2)17(12-16)14-30-23-24-20-8-4-3-7-19(20)22(27)25(23)13-18-6-5-11-29-18/h3-12H,13-14H2,1-2H3
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| InChIKey |
ASQOHEMYSQDZIN-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