General Information of the Compound
| Compound ID |
CP0468959
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| Compound Name |
8-[2-[3-(3,5-difluorophenyl)propylamino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C19H21ClF2N2O4
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| Molecular Weight |
414.836
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| Canonical SMILES |
Cl.OC(CNCCCc1cc(F)cc(F)c1)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C19H20F2N2O4.ClH/c20-12-4-11(5-13(21)6-12)2-1-3-22-9-17(25)15-7-14(24)8-16-19(15)27-10-18(26)23-16;/h4-8,17,22,24-25H,1-3,9-10H2,(H,23,26);1H
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| InChIKey |
IDQPDPGZXDIPJG-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