General Information of the Compound
| Compound ID |
CP0558208
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| Compound Name |
1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide
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| Formula |
C17H23N5O
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| Molecular Weight |
313.405
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| Canonical SMILES |
CN1CCCC1CCNC(=O)c1cn(nn1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C17H23N5O/c1-13-5-7-15(8-6-13)22-12-16(19-20-22)17(23)18-10-9-14-4-3-11-21(14)2/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,18,23)
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| InChIKey |
KSVSVIAYGJNSAR-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