General Information of the Compound
| Compound ID |
CP0432995
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| Compound Name |
N-(2,3-dichlorophenyl)-2-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]triazol-1-yl]acetamide
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| Structure |
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| Formula |
C21H18Cl2N6O
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| Molecular Weight |
441.322
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| Canonical SMILES |
Cc1nccn1Cc1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
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| InChI |
InChI=1S/C21H18Cl2N6O/c1-14-24-9-10-28(14)11-15-5-7-16(8-6-15)19-12-29(27-26-19)13-20(30)25-18-4-2-3-17(22)21(18)23/h2-10,12H,11,13H2,1H3,(H,25,30)
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| InChIKey |
NKRKNOXSBZYPNY-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