General Information of the Compound
| Compound ID |
CP0338159
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| Compound Name |
6-[(1S)-1-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
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| Structure |
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| Formula |
C23H19N5O2S
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| Molecular Weight |
429.505
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| Canonical SMILES |
C[C@H](c1nnc2ccc(nn12)-c1ccc(cc1)S(C)(=O)=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C23H19N5O2S/c1-15(17-7-10-20-18(14-17)4-3-13-24-20)23-26-25-22-12-11-21(27-28(22)23)16-5-8-19(9-6-16)31(2,29)30/h3-15H,1-2H3/t15-/m0/s1
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| InChIKey |
KFJDSSNUERWGKI-HNNXBMFYSA-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