General Information of the Compound
| Compound ID |
CP0221903
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| Compound Name |
6-[(1S)-1-[6-(4-ethylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
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| Structure |
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| Formula |
C24H21N5O2S
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| Molecular Weight |
443.532
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(cc1)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1
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| InChI |
InChI=1S/C24H21N5O2S/c1-3-32(30,31)20-9-6-17(7-10-20)22-12-13-23-26-27-24(29(23)28-22)16(2)18-8-11-21-19(15-18)5-4-14-25-21/h4-16H,3H2,1-2H3/t16-/m0/s1
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| InChIKey |
VQXGDYJSTNBGQB-INIZCTEOSA-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