General Information of the Compound
| Compound ID |
CP0553044
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| Compound Name |
1-[4-[4-(2H-tetrazol-5-yl)phenoxy]butyl]pyrimidine-2,4-dione
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| Formula |
C15H16N6O3
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| Molecular Weight |
328.332
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| Canonical SMILES |
O=c1ccn(CCCCOc2ccc(cc2)-c2nnn[nH]2)c(=O)[nH]1
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| InChI |
InChI=1S/C15H16N6O3/c22-13-7-9-21(15(23)16-13)8-1-2-10-24-12-5-3-11(4-6-12)14-17-19-20-18-14/h3-7,9H,1-2,8,10H2,(H,16,22,23)(H,17,18,19,20)
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| InChIKey |
DYBOCUOZDDPZFL-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