General Information of the Compound
| Compound ID |
CP0438801
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| Compound Name |
(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-5-methyl-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C17H22ClN3O3
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| Molecular Weight |
351.834
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| Canonical SMILES |
Cc1ccc2oc(nc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1
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| InChI |
InChI=1S/C17H22ClN3O3/c1-12-5-6-15-14(9-12)19-17(24-15)16(18)20-23-11-13(22)10-21-7-3-2-4-8-21/h5-6,9,13,22H,2-4,7-8,10-11H2,1H3/b20-16-
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| InChIKey |
SYMUBIYLDHRZBH-SILNSSARSA-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