General Information of the Compound
| Compound ID |
CP0252576
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| Compound Name |
3-[[4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H22N6O3S
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| Molecular Weight |
438.513
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| Canonical SMILES |
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1
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| InChI |
InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-12-16-4-5-17(13-27)30-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)
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| InChIKey |
HBLUJJRKHYEUPJ-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