General Information of the Compound
| Compound ID |
CP0523843
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| Compound Name |
3-(3-chlorophenylsulfonyl)-N-((tetrahydrofuran-2-yl)methyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C18H16ClN5O3S2
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| Molecular Weight |
449.945
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(NCC3CCCO3)nc12
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| InChI |
InChI=1S/C18H16ClN5O3S2/c19-11-3-1-5-13(9-11)29(25,26)18-17-21-16(20-10-12-4-2-7-27-12)15-14(6-8-28-15)24(17)23-22-18/h1,3,5-6,8-9,12H,2,4,7,10H2,(H,20,21)
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| InChIKey |
FNIXTLLXGNHQRQ-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