General Information of the Compound
| Compound ID |
CP0574472
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| Compound Name |
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
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| Structure |
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| Formula |
C16H23N5O
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| Molecular Weight |
301.394
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1cn(nn1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C16H23N5O/c1-4-20(5-2)11-10-17-16(22)15-12-21(19-18-15)14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22)
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| InChIKey |
DGGFAHZBTMHKSX-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