General Information of the Compound
| Compound ID |
CP0538959
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| Compound Name |
1-[3-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-2-methylphenyl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C26H28N4
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| Molecular Weight |
396.538
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(CN(C)C)c1C
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| InChI |
InChI=1S/C26H28N4/c1-5-25-27-28-26(22-16-14-21(15-17-22)20-10-7-6-8-11-20)30(25)24-13-9-12-23(19(24)2)18-29(3)4/h6-17H,5,18H2,1-4H3
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| InChIKey |
UWZUJKAFBCTMAS-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