General Information of the Compound
| Compound ID |
CP0463909
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| Compound Name |
4-Benzyl-1H-imidazole derivative, 24
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| Structure |
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| Formula |
C16H18N2
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| Molecular Weight |
238.334
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| Canonical SMILES |
CC(C)(C)C#Cc1ccc(Cc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C16H18N2/c1-16(2,3)9-8-13-4-6-14(7-5-13)10-15-11-17-12-18-15/h4-7,11-12H,10H2,1-3H3,(H,17,18)
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| InChIKey |
PETGCFNKMVDZAC-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