General Information of the Compound
| Compound ID |
CP0552329
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| Compound Name |
6-[2-(diethylamino)ethoxy]-2-[(2-methoxyphenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C27H31N3O3S2
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| Molecular Weight |
509.697
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| Canonical SMILES |
CCN(CC)CCOc1ccc2nc(SCc3ccccc3OC)n(Cc3cccs3)c(=O)c2c1
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| InChI |
InChI=1S/C27H31N3O3S2/c1-4-29(5-2)14-15-33-21-12-13-24-23(17-21)26(31)30(18-22-10-8-16-34-22)27(28-24)35-19-20-9-6-7-11-25(20)32-3/h6-13,16-17H,4-5,14-15,18-19H2,1-3H3
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| InChIKey |
LJTZIVDUWHMRLD-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