General Information of the Compound
| Compound ID |
CP0382020
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| Compound Name |
N-[2-benzyl-5-[(2,3-difluorophenyl)sulfanylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methanesulfonamide
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| Structure |
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| Formula |
C20H17F2N5O2S2
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| Molecular Weight |
461.519
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(CSc2cccc(F)c2F)nc2nc(Cc3ccccc3)nn12
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| InChI |
InChI=1S/C20H17F2N5O2S2/c1-31(28,29)26-18-11-14(12-30-16-9-5-8-15(21)19(16)22)23-20-24-17(25-27(18)20)10-13-6-3-2-4-7-13/h2-9,11,26H,10,12H2,1H3
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| InChIKey |
HVTXSOYZXXRFRQ-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