General Information of the Compound
| Compound ID |
CP0441863
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| Compound Name |
1-(2,3-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-2H-1,2,3,4,5-pentazol-1-ylium
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| Structure |
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| Formula |
C17H20N5O+
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| Molecular Weight |
310.381
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| Canonical SMILES |
COc1ccc(CCn2nnn[n+]2-c2cccc(C)c2C)cc1
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| InChI |
InChI=1S/C17H20N5O/c1-13-5-4-6-17(14(13)2)22-20-18-19-21(22)12-11-15-7-9-16(23-3)10-8-15/h4-10H,11-12H2,1-3H3/q+1
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| InChIKey |
ILYSRNJLDBRDDM-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