General Information of the Compound
| Compound ID |
CP0072383
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| Compound Name |
6-[(1S)-1-[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
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| Structure |
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| Formula |
C23H18FN5O
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| Molecular Weight |
399.429
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| Canonical SMILES |
COc1ccc(cc1F)-c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1
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| InChI |
InChI=1S/C23H18FN5O/c1-14(15-5-7-19-16(12-15)4-3-11-25-19)23-27-26-22-10-8-20(28-29(22)23)17-6-9-21(30-2)18(24)13-17/h3-14H,1-2H3/t14-/m0/s1
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| InChIKey |
NATHIBVZOPQYLV-AWEZNQCLSA-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