General Information of the Compound
| Compound ID |
CP0468953
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-(2-phenylethylamino)ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C18H21ClN2O4
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| Molecular Weight |
364.829
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| Canonical SMILES |
Cl.OC(CNCCc1ccccc1)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C18H20N2O4.ClH/c21-13-8-14(18-15(9-13)20-17(23)11-24-18)16(22)10-19-7-6-12-4-2-1-3-5-12;/h1-5,8-9,16,19,21-22H,6-7,10-11H2,(H,20,23);1H
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| InChIKey |
AWXZVQKIEQUNOD-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