General Information of the Compound
| Compound ID |
CP0177538
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| Compound Name |
3-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C12H6Cl2N4O2
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| Molecular Weight |
309.112
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| Canonical SMILES |
Clc1ccc(cc1Cl)-c1cc(ncn1)-c1noc(=O)[nH]1
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| InChI |
InChI=1S/C12H6Cl2N4O2/c13-7-2-1-6(3-8(7)14)9-4-10(16-5-15-9)11-17-12(19)20-18-11/h1-5H,(H,17,18,19)
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| InChIKey |
DHGWYBBUILQBHX-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