General Information of the Compound
| Compound ID |
CP0511114
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| Compound Name |
2-(1-Cyclopropyl-ethyl)-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
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| Structure |
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| Formula |
C22H21FN2O3S
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| Molecular Weight |
412.486
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| Canonical SMILES |
CC(C1CC1)n1ncc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C22H21FN2O3S/c1-14(15-3-4-15)25-22(26)21(17-5-9-18(23)10-6-17)20(13-24-25)16-7-11-19(12-8-16)29(2,27)28/h5-15H,3-4H2,1-2H3
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| InChIKey |
VYZKNVAXMQPLHY-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