General Information of the Compound
| Compound ID |
CP0572948
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| Compound Name |
3-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C23H22N4O2S
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| Molecular Weight |
418.522
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| Canonical SMILES |
CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
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| InChI |
InChI=1S/C23H22N4O2S/c1-3-16-13-19(22-15(2)26-27-23(22)17-9-11-25-12-10-17)7-8-21(16)18-5-4-6-20(14-18)30(24,28)29/h4-14H,3H2,1-2H3,(H,26,27)(H2,24,28,29)
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| InChIKey |
MFDUTXMPNQGZAQ-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