General Information of the Compound
| Compound ID |
CP0542109
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[3-(3-methoxyphenyl)propylamino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C20H25ClN2O5
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| Molecular Weight |
408.882
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| Canonical SMILES |
Cl.COc1cccc(CCCNCC(O)c2cc(O)cc3NC(=O)COc23)c1
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| InChI |
InChI=1S/C20H24N2O5.ClH/c1-26-15-6-2-4-13(8-15)5-3-7-21-11-18(24)16-9-14(23)10-17-20(16)27-12-19(25)22-17;/h2,4,6,8-10,18,21,23-24H,3,5,7,11-12H2,1H3,(H,22,25);1H
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| InChIKey |
JHRRQLFTGPXDQJ-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