General Information of the Compound
| Compound ID |
CP0547693
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| Compound Name |
3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-methylsulfonylphenoxy)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H18ClN3O3S
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| Molecular Weight |
439.924
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H18ClN3O3S/c1-30(27,28)19-7-3-2-5-17(19)29-18-6-4-14-26-20(18)24-25-21(26)22(12-13-22)15-8-10-16(23)11-9-15/h2-11,14H,12-13H2,1H3
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| InChIKey |
RULTVKUCIIFLBJ-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