General Information of the Compound
| Compound ID |
CP0498384
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| Compound Name |
(2Z)-N-[3-(3-fluoropiperidin-1-yl)-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C16H19ClFN3O3
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| Molecular Weight |
355.797
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| Canonical SMILES |
OC(CO\N=C(/Cl)c1nc2ccccc2o1)CN1CCCC(F)C1
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| InChI |
InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-5-1-2-6-14(13)24-16)20-23-10-12(22)9-21-7-3-4-11(18)8-21/h1-2,5-6,11-12,22H,3-4,7-10H2/b20-15-
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| InChIKey |
PEADCECXVCYSMK-HKWRFOASSA-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