General Information of the Compound
| Compound ID |
CP0554483
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| Compound Name |
3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H20N4O3S
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| Molecular Weight |
420.494
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| Canonical SMILES |
COc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
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| InChI |
InChI=1S/C22H20N4O3S/c1-14-21(22(26-25-14)15-8-10-24-11-9-15)17-6-7-19(20(13-17)29-2)16-4-3-5-18(12-16)30(23,27)28/h3-13H,1-2H3,(H,25,26)(H2,23,27,28)
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| InChIKey |
NMMSZCZSOKUHOX-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