General Information of the Compound
| Compound ID |
CP0509726
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| Compound Name |
3-(4-chlorophenylsulfonyl)-N-(furan-2-ylmethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C18H12ClN5O3S2
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| Molecular Weight |
445.913
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccco3)nc12
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| InChI |
InChI=1S/C18H12ClN5O3S2/c19-11-3-5-13(6-4-11)29(25,26)18-17-21-16(20-10-12-2-1-8-27-12)15-14(7-9-28-15)24(17)23-22-18/h1-9H,10H2,(H,20,21)
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| InChIKey |
KXRDUNMKTLNNRL-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