General Information of the Compound
| Compound ID |
CP0573335
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| Compound Name |
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
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| Formula |
C17H23N5O
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| Molecular Weight |
313.405
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| Canonical SMILES |
CCN1CCCC1CNC(=O)c1cn(nn1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C17H23N5O/c1-3-21-10-4-5-15(21)11-18-17(23)16-12-22(20-19-16)14-8-6-13(2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,23)
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| InChIKey |
QMDUQAIJFWAUNH-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