General Information of the Compound
| Compound ID |
CP0504000
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| Compound Name |
(2Z)-N-[3-[3-fluoropropyl(propan-2-yl)amino]-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C17H23ClFN3O3
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| Molecular Weight |
371.84
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| Canonical SMILES |
CC(C)N(CCCF)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1
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| InChI |
InChI=1S/C17H23ClFN3O3/c1-12(2)22(9-5-8-19)10-13(23)11-24-21-16(18)17-20-14-6-3-4-7-15(14)25-17/h3-4,6-7,12-13,23H,5,8-11H2,1-2H3/b21-16-
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| InChIKey |
XMUIAXAWPMRGSZ-PGMHBOJBSA-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