General Information of the Compound
| Compound ID |
CP0531921
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| Compound Name |
4-({3-[2-(naphthalen-1-yl)ethynyl]phenyl}methyl)-1H-imidazole
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| Structure |
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| Formula |
C22H16N2
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| Molecular Weight |
308.384
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| Canonical SMILES |
C(c1cnc[nH]1)c1cccc(c1)C#Cc1cccc2ccccc12
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| InChI |
InChI=1S/C22H16N2/c1-2-10-22-19(7-1)8-4-9-20(22)12-11-17-5-3-6-18(13-17)14-21-15-23-16-24-21/h1-10,13,15-16H,14H2,(H,23,24)
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| InChIKey |
HBAUWQWDRYUNGJ-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