General Information of the Compound
| Compound ID |
CP0398823
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| Compound Name |
3-(3-chlorophenylsulfonyl)-N-(pyridin-3-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 |
C19H13ClN6O2S2
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| Molecular Weight |
456.94
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccnc3)nc12
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| InChI |
InChI=1S/C19H13ClN6O2S2/c20-13-4-1-5-14(9-13)30(27,28)19-18-23-17(22-11-12-3-2-7-21-10-12)16-15(6-8-29-16)26(18)25-24-19/h1-10H,11H2,(H,22,23)
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| InChIKey |
IJFVEGGGPIVAMP-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