General Information of the Compound
| Compound ID |
CP0391111
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| Compound Name |
ethyl 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 |
C13H14N4O2S
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| Molecular Weight |
290.348
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| Canonical SMILES |
CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccsc1
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| InChI |
InChI=1S/C13H14N4O2S/c1-3-19-12(18)10-8(2)16-13-14-7-15-17(13)11(10)9-4-5-20-6-9/h4-7,11H,3H2,1-2H3,(H,14,15,16)
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| InChIKey |
XMSGHXKBLXWENB-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