General Information of the Compound
| Compound ID |
CP0442773
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| Compound Name |
1-[1-(3,4-dimethylphenyl)cyclopropyl]-2-[2-(4-methoxyphenyl)ethyl]-2H-1,2,3,4,5-pentazol-1-ylium
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| Structure |
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| Formula |
C20H24N5O+
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| Molecular Weight |
350.446
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| Canonical SMILES |
COc1ccc(CCn2nnn[n+]2C2(CC2)c2ccc(C)c(C)c2)cc1
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| InChI |
InChI=1S/C20H24N5O/c1-15-4-7-18(14-16(15)2)20(11-12-20)25-23-21-22-24(25)13-10-17-5-8-19(26-3)9-6-17/h4-9,14H,10-13H2,1-3H3/q+1
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| InChIKey |
WZWGKRKSIFPYSC-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