General Information of the Compound
| Compound ID |
CP0499787
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| Compound Name |
propan-2-yl 5-methyl-7-thiophen-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C14H16N4O2S
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| Molecular Weight |
304.375
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)Nc2ncnn2C1c1ccsc1
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| InChI |
InChI=1S/C14H16N4O2S/c1-8(2)20-13(19)11-9(3)17-14-15-7-16-18(14)12(11)10-4-5-21-6-10/h4-8,12H,1-3H3,(H,15,16,17)
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| InChIKey |
DVHQDGGSQYSMJK-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