General Information of the Compound
| Compound ID |
CP0172956
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| Compound Name |
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
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| Structure |
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| Formula |
C19H18ClN3
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| Molecular Weight |
323.827
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1
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| InChI |
InChI=1S/C19H18ClN3/c1-23-17(14-6-3-2-4-7-14)21-22-18(23)19(12-5-13-19)15-8-10-16(20)11-9-15/h2-4,6-11H,5,12-13H2,1H3
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| InChIKey |
AMRNFCHSNOKVDZ-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