General Information of the Compound
| Compound ID |
CP0506151
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| Compound Name |
6-(N,N-dimethylsulfamoyl)-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)benzo[d]oxazole-2-carbimidoyl chloride
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| Structure |
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| Formula |
C18H25ClN4O5S
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| Molecular Weight |
444.941
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc2nc(oc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
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| InChI |
InChI=1S/C18H25ClN4O5S/c1-22(2)29(25,26)14-6-7-15-16(10-14)28-18(20-15)17(19)21-27-12-13(24)11-23-8-4-3-5-9-23/h6-7,10,13,24H,3-5,8-9,11-12H2,1-2H3/b21-17-
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| InChIKey |
GGLOOTNKQPRWNL-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