General Information of the Compound
| Compound ID |
CP0377178
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| Compound Name |
methyl 2-[[5-methyl-4-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate
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| Structure |
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| Formula |
C19H18N2O3S
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| Molecular Weight |
354.431
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| Canonical SMILES |
COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
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| InChI |
InChI=1S/C19H18N2O3S/c1-12-16(20-19(21-18(12)23)25-11-17(22)24-2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-11H2,1-2H3,(H,20,21,23)
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| InChIKey |
JPRVIOLDDZSIDH-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