General Information of the Compound
| Compound ID |
CP0406271
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| Compound Name |
ethyl 2-[[4-(naphthalen-1-ylmethyl)-6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl]sulfanyl]acetate
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| Structure |
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| Formula |
C22H24N2O3S
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| Molecular Weight |
396.512
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| Canonical SMILES |
CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
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| InChI |
InChI=1S/C22H24N2O3S/c1-4-27-19(25)13-28-22-23-18(20(14(2)3)21(26)24-22)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,26)
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| InChIKey |
RZYXAHOAPDKQOC-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