General Information of the Compound
| Compound ID |
CP0442650
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| Compound Name |
1-[1-(4-methylphenyl)cyclopropyl]-2-(3-phenylpropyl)-2H-1,2,3,4,5-pentazol-1-ylium
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| Structure |
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| Formula |
C19H22N5+
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| Molecular Weight |
320.42
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| Canonical SMILES |
Cc1ccc(cc1)C1(CC1)[n+]1nnnn1CCCc1ccccc1
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| InChI |
InChI=1S/C19H22N5/c1-16-9-11-18(12-10-16)19(13-14-19)24-22-20-21-23(24)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3/q+1
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| InChIKey |
NUSJZMACDQUCOD-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