General Information of the Compound
| Compound ID |
CP0407536
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| Compound Name |
5-(ethylsulfonyl)-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)benzo[d]oxazole-2-carbimidoyl chloride
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| Structure |
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| Formula |
C18H24ClN3O5S
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| Molecular Weight |
429.926
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| Canonical SMILES |
CCS(=O)(=O)c1ccc2oc(nc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
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| InChI |
InChI=1S/C18H24ClN3O5S/c1-2-28(24,25)14-6-7-16-15(10-14)20-18(27-16)17(19)21-26-12-13(23)11-22-8-4-3-5-9-22/h6-7,10,13,23H,2-5,8-9,11-12H2,1H3/b21-17-
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| InChIKey |
ZVEMONMPKSDWSS-FXBPSFAMSA-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