General Information of the Compound
| Compound ID |
CP0480545
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| Compound Name |
methyl 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 |
C21H22N2O3S
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| Molecular Weight |
382.485
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| Canonical SMILES |
COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
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| InChI |
InChI=1S/C21H22N2O3S/c1-13(2)19-17(22-21(23-20(19)25)27-12-18(24)26-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3,(H,22,23,25)
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| InChIKey |
MJHDVPWMBGHJLR-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