General Information of the Compound
| Compound ID |
CP0515620
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| Compound Name |
4-Benzyl-1H-imidazole derivative, 21
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| Synonyms |
4-(3-Pent-1-ynyl-benzyl)-1H-imidazole
4-Benzyl-1H-imidazole derivative, 21
BDBM22540
CHEMBL451399
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| Structure |
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| Formula |
C15H16N2
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| Molecular Weight |
224.307
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| Canonical SMILES |
CCCC#Cc1cccc(Cc2cnc[nH]2)c1
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| InChI |
InChI=1S/C15H16N2/c1-2-3-4-6-13-7-5-8-14(9-13)10-15-11-16-12-17-15/h5,7-9,11-12H,2-3,10H2,1H3,(H,16,17)
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| InChIKey |
JAPGJDHRYBFKBD-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
Clinical Information about the Compound