General Information of the Compound
| Compound ID |
CP0504667
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| Compound Name |
Butyl-ethyl-[3-(4-isopropyl-2-methanesulfonyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-b]pyridin-7-yl]-amine
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| Structure |
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| Formula |
C22H31N5O2S
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| Molecular Weight |
429.59
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| Canonical SMILES |
CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1S(C)(=O)=O)C(C)C
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| InChI |
InChI=1S/C22H31N5O2S/c1-7-9-12-26(8-2)19-13-16(5)23-22-21(19)24-25-27(22)18-11-10-17(15(3)4)14-20(18)30(6,28)29/h10-11,13-15H,7-9,12H2,1-6H3
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| InChIKey |
DJHVJHLSOXAPQG-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