General Information of the Compound
| Compound ID |
CP0447430
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| Compound Name |
5-benzyl-N-methyl-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C21H19N3O4
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| Molecular Weight |
377.4
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| Canonical SMILES |
CN([C@H]1COc2ccccc2NC1=O)C(=O)c1cc(Cc2ccccc2)on1
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| InChI |
InChI=1S/C21H19N3O4/c1-24(18-13-27-19-10-6-5-9-16(19)22-20(18)25)21(26)17-12-15(28-23-17)11-14-7-3-2-4-8-14/h2-10,12,18H,11,13H2,1H3,(H,22,25)/t18-/m0/s1
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| InChIKey |
RRKCMOVROKRSEM-SFHVURJKSA-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