General Information of the Compound
| Compound ID |
CP0045726
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| Compound Name |
5-chloro-2-(1-(3-ethoxy-4-fluorobenzyl)piperidin-4-ylamino)benzo[d]oxazole-6-sulfonamide
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| Structure |
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| Formula |
C21H24ClFN4O4S
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| Molecular Weight |
482.965
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)ccc1F
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| InChI |
InChI=1S/C21H24ClFN4O4S/c1-2-30-18-9-13(3-4-16(18)23)12-27-7-5-14(6-8-27)25-21-26-17-10-15(22)20(32(24,28)29)11-19(17)31-21/h3-4,9-11,14H,2,5-8,12H2,1H3,(H,25,26)(H2,24,28,29)
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| InChIKey |
WCUAFHYQNZBNRN-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