General Information of the Compound
| Compound ID |
CP0553043
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| Compound Name |
2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-1,2,4-triazine-3,5-dione
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| Formula |
C13H13N7O3
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| Molecular Weight |
315.293
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| Canonical SMILES |
O=c1cnn(CCCOc2ccc(cc2)-c2nnn[nH]2)c(=O)[nH]1
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| InChI |
InChI=1S/C13H13N7O3/c21-11-8-14-20(13(22)15-11)6-1-7-23-10-4-2-9(3-5-10)12-16-18-19-17-12/h2-5,8H,1,6-7H2,(H,15,21,22)(H,16,17,18,19)
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| InChIKey |
NNXIXRXMZJKZEA-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