General Information of the Compound
| Compound ID |
CP0063633
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| Compound Name |
5-chloro-2-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-ylamino)benzo[d]oxazole-6-sulfonamide
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| Structure |
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| Formula |
C23H28ClFN4O5S
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| Molecular Weight |
527.018
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)cc(OCC)c1F
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| InChI |
InChI=1S/C23H28ClFN4O5S/c1-3-32-19-9-14(10-20(22(19)25)33-4-2)13-29-7-5-15(6-8-29)27-23-28-17-11-16(24)21(35(26,30)31)12-18(17)34-23/h9-12,15H,3-8,13H2,1-2H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
IEMOENSJCRZHOW-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