General Information of the Compound
| Compound ID |
CP0406385
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| Compound Name |
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(naphthalen-1-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C27H26N2O3S
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| Molecular Weight |
458.583
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
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| InChI |
InChI=1S/C27H26N2O3S/c1-17(2)25-23(15-20-9-6-8-18-7-4-5-10-22(18)20)28-27(29-26(25)31)33-16-24(30)19-11-13-21(32-3)14-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)
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| InChIKey |
LXZXXMLKRZNKEG-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