General Information of the Compound
| Compound ID |
CP0556775
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| Compound Name |
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylphenyl)triazole-4-carboxamide
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| Structure |
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| Formula |
C20H25N5OS
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| Molecular Weight |
383.521
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| Canonical SMILES |
CCN(CC)C(CNC(=O)c1cn(nn1)-c1ccc(C)cc1)c1ccsc1
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| InChI |
InChI=1S/C20H25N5OS/c1-4-24(5-2)19(16-10-11-27-14-16)12-21-20(26)18-13-25(23-22-18)17-8-6-15(3)7-9-17/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,21,26)
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| InChIKey |
JKUKICYRGCSNQB-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