General Information of the Compound
| Compound ID |
CP0531757
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| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[(2-methyl-4,4-diphenylbutan-2-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
Cl.CC(C)(CC(c1ccccc1)c1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C27H30N2O4.ClH/c1-27(2,15-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19)28-16-24(31)21-13-20(30)14-23-26(21)33-17-25(32)29-23;/h3-14,22,24,28,30-31H,15-17H2,1-2H3,(H,29,32);1H
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| InChIKey |
WTENOYZOLQADDX-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