General Information of the Compound
| Compound ID |
CP0487585
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| Compound Name |
8-[2-[2-(4-fluorophenyl)ethylamino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C18H20ClFN2O4
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| Molecular Weight |
382.819
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| Canonical SMILES |
Cl.OC(CNCCc1ccc(F)cc1)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C18H19FN2O4.ClH/c19-12-3-1-11(2-4-12)5-6-20-9-16(23)14-7-13(22)8-15-18(14)25-10-17(24)21-15;/h1-4,7-8,16,20,22-23H,5-6,9-10H2,(H,21,24);1H
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| InChIKey |
VGIWVDUONMTEEN-UHFFFAOYSA-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