General Information of the Compound
| Compound ID |
CP0489736
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| Compound Name |
2-benzylsulfanyl-6-[2-(dimethylamino)ethoxy]-3-(thiophen-2-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C24H25N3O2S2
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| Molecular Weight |
451.617
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| Canonical SMILES |
CN(C)CCOc1ccc2nc(SCc3ccccc3)n(Cc3cccs3)c(=O)c2c1
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| InChI |
InChI=1S/C24H25N3O2S2/c1-26(2)12-13-29-19-10-11-22-21(15-19)23(28)27(16-20-9-6-14-30-20)24(25-22)31-17-18-7-4-3-5-8-18/h3-11,14-15H,12-13,16-17H2,1-2H3
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| InChIKey |
UHADVCJRXPJDCB-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