General Information of the Compound
| Compound ID |
CP0506202
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| Compound Name |
3-(4-ethylphenylsulfonyl)-N-isopentylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C20H23N5O2S2
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| Molecular Weight |
429.571
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCCC(C)C)nc12
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| InChI |
InChI=1S/C20H23N5O2S2/c1-4-14-5-7-15(8-6-14)29(26,27)20-19-22-18(21-11-9-13(2)3)17-16(10-12-28-17)25(19)24-23-20/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,21,22)
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| InChIKey |
VOZIFMSUUJUNKK-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