General Information of the Compound
| Compound ID |
CP0452594
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| Compound Name |
propan-2-yl 4-(5-methyl-1-pyridin-3-yltriazol-4-yl)benzoate
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| Structure |
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| Formula |
C18H18N4O2
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| Molecular Weight |
322.368
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
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| InChI |
InChI=1S/C18H18N4O2/c1-12(2)24-18(23)15-8-6-14(7-9-15)17-13(3)22(21-20-17)16-5-4-10-19-11-16/h4-12H,1-3H3
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| InChIKey |
DJDSNSBUMZEBDK-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