General Information of the Compound
| Compound ID |
CP0430045
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| Compound Name |
2-benzylsulfanyl-6-[2-(diethylamino)ethoxy]-3-(thiophen-2-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C26H29N3O2S2
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| Molecular Weight |
479.671
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| Canonical SMILES |
CCN(CC)CCOc1ccc2nc(SCc3ccccc3)n(Cc3cccs3)c(=O)c2c1
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| InChI |
InChI=1S/C26H29N3O2S2/c1-3-28(4-2)14-15-31-21-12-13-24-23(17-21)25(30)29(18-22-11-8-16-32-22)26(27-24)33-19-20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18-19H2,1-2H3
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| InChIKey |
NHOYLZLUASCDAH-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