General Information of the Compound
| Compound ID |
CP0509654
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| Compound Name |
(2Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)benzo[e][1,3]benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C20H22ClN3O3
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| Molecular Weight |
387.867
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| Canonical SMILES |
OC(CO\N=C(/Cl)c1nc2c(ccc3ccccc23)o1)CN1CCCCC1
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| InChI |
InChI=1S/C20H22ClN3O3/c21-19(23-26-13-15(25)12-24-10-4-1-5-11-24)20-22-18-16-7-3-2-6-14(16)8-9-17(18)27-20/h2-3,6-9,15,25H,1,4-5,10-13H2/b23-19-
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| InChIKey |
QMWAWZNQELUIGE-NMWGTECJSA-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