General Information of the Compound
| Compound ID |
CP0367498
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| Compound Name |
3-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxypyridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C22H25N5O4S
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| Molecular Weight |
455.54
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| Canonical SMILES |
NS(=O)(=O)c1cccc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)c1
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| InChI |
InChI=1S/C22H25N5O4S/c23-32(28,29)19-3-1-2-16(12-19)25-21-13-18(6-9-24-21)31-20-14-27(17-4-5-17)26-22(20)15-7-10-30-11-8-15/h1-3,6,9,12-15,17H,4-5,7-8,10-11H2,(H,24,25)(H2,23,28,29)
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| InChIKey |
RYCJKBMIUYEPJJ-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