General Information of the Compound
| Compound ID |
CP0538641
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| Compound Name |
4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
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| Structure |
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| Formula |
C18H19N5O
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| Molecular Weight |
321.384
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| Canonical SMILES |
CC(C)NC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
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| InChI |
InChI=1S/C18H19N5O/c1-12(2)20-18(24)15-8-6-14(7-9-15)17-13(3)23(22-21-17)16-5-4-10-19-11-16/h4-12H,1-3H3,(H,20,24)
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| InChIKey |
MPLHTLQHEIOKHW-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