General Information of the Compound
| Compound ID |
CP0400617
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| Compound Name |
3-(4-hydroxyphenyl)-6-(4-nitrophenyl)-1,4-dihydropyrimidin-2-one
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| Structure |
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| Formula |
C16H13N3O4
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| Molecular Weight |
311.297
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| Canonical SMILES |
Oc1ccc(cc1)N1CC=C(NC1=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H13N3O4/c20-14-7-5-12(6-8-14)18-10-9-15(17-16(18)21)11-1-3-13(4-2-11)19(22)23/h1-9,20H,10H2,(H,17,21)
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| InChIKey |
FSMSZUNLYUQVHH-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