General Information of the Compound
| Compound ID |
CP0377174
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| Compound Name |
3-(Phenylsulfonyl)-5-pyrrolidin-1-ylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C17H15N5O2S2
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| Molecular Weight |
385.474
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| Canonical SMILES |
O=S(=O)(c1nnn2c3ccsc3c(nc12)N1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C17H15N5O2S2/c23-26(24,12-6-2-1-3-7-12)17-16-18-15(21-9-4-5-10-21)14-13(8-11-25-14)22(16)20-19-17/h1-3,6-8,11H,4-5,9-10H2
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| InChIKey |
GCNRQBFIMDIGDC-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