General Information of the Compound
| Compound ID |
CP0458093
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| Compound Name |
6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
O=c1cc([nH]c(=O)[nH]1)N1CCN(Cc2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C19H20N4O2/c24-18-12-17(20-19(25)21-18)23-10-8-22(9-11-23)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,24,25)
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| InChIKey |
WKALFVUNIUNKBJ-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