General Information of the Compound
| Compound ID |
CP0474858
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| Compound Name |
N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2cccc(c2)-c2cccnc2)c1
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| InChI |
InChI=1S/C22H21N5O3S/c1-3-31(28,29)19-9-10-21(30-2)20(13-19)24-22-15-27(26-25-22)18-8-4-6-16(12-18)17-7-5-11-23-14-17/h4-15,24H,3H2,1-2H3
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| InChIKey |
IMGLUBYKPCBYCS-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