General Information of the Compound
| Compound ID |
CP0847316
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| Compound Name |
4-(2-(1H-Imidazol-5-yl)ethyl)-1-(cyclohexylmethyl)-1H-1,2,3-triazole dihydrochloride
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| Structure |
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| Formula |
C14H23Cl2N5
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| Molecular Weight |
332.279
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| Canonical SMILES |
Cl.Cl.c1nc(CCc2cn(CC3CCCCC3)nn2)c[nH]1
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| InChI |
InChI=1S/C14H21N5.2ClH/c1-2-4-12(5-3-1)9-19-10-14(17-18-19)7-6-13-8-15-11-16-13;;/h8,10-12H,1-7,9H2,(H,15,16);2*1H
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| InChIKey |
PQSDHYXUZGMLGM-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