General Information of the Compound
| Compound ID |
CP0531564
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| Compound Name |
2-[4-(2-hydroxypropan-2-yl)phenyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H18N2O3
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| Molecular Weight |
286.331
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| Canonical SMILES |
CC(C)(O)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H18N2O3/c1-16(2,20)11-5-3-10(4-6-11)14-17-13-7-8-21-9-12(13)15(19)18-14/h3-6,20H,7-9H2,1-2H3,(H,17,18,19)
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| InChIKey |
BEEDMTGTJPMPBN-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