General Information of the Compound
| Compound ID |
CP0304006
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| Compound Name |
6-[(1S)-1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
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| Structure |
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| Formula |
C24H19N5O2
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| Molecular Weight |
409.449
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| Canonical SMILES |
C[C@H](c1nnc2ccc(nn12)-c1ccc2OCCOc2c1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C24H19N5O2/c1-15(16-4-6-19-17(13-16)3-2-10-25-19)24-27-26-23-9-7-20(28-29(23)24)18-5-8-21-22(14-18)31-12-11-30-21/h2-10,13-15H,11-12H2,1H3/t15-/m0/s1
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| InChIKey |
FSMJOBXAIHKUIL-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