General Information of the Compound
| Compound ID |
CP0503196
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| Compound Name |
1-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-2H-1,2,3,4,5-pentazol-1-ylium
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| Structure |
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| Formula |
C15H14Cl2N5O+
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| Molecular Weight |
351.217
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| Canonical SMILES |
COc1ccc(CCn2nnn[n+]2-c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C15H14Cl2N5O/c1-23-13-5-2-11(3-6-13)8-9-21-19-18-20-22(21)12-4-7-14(16)15(17)10-12/h2-7,10H,8-9H2,1H3/q+1
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| InChIKey |
GRSKLERZCJPQEE-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