General Information of the Compound
| Compound ID |
CP0509635
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| Compound Name |
(2Z)-N-[2-hydroxy-3-[2-hydroxyethyl(propan-2-yl)amino]propoxy]-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C16H22ClN3O4
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| Molecular Weight |
355.822
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| Canonical SMILES |
CC(C)N(CCO)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
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| InChI |
InChI=1S/C16H22ClN3O4/c1-11(2)20(7-8-21)9-12(22)10-23-19-15(17)16-18-13-5-3-4-6-14(13)24-16/h3-6,11-12,21-22H,7-10H2,1-2H3/b19-15-
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| InChIKey |
YUYHTINUBAXYJI-CYVLTUHYSA-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