General Information of the Compound
| Compound ID |
CP0441864
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| Compound Name |
2-[2-(4-methoxyphenyl)ethyl]-1-[1-(4-methylphenyl)cyclopentyl]-2H-1,2,3,4,5-pentazol-1-ylium
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| Structure |
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| Formula |
C21H26N5O+
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| Molecular Weight |
364.473
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| Canonical SMILES |
COc1ccc(CCn2nnn[n+]2C2(CCCC2)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C21H26N5O/c1-17-5-9-19(10-6-17)21(14-3-4-15-21)26-24-22-23-25(26)16-13-18-7-11-20(27-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3/q+1
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| InChIKey |
JIIFXXCFPWAGOZ-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