General Information of the Compound
| Compound ID |
CP0352614
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| Compound Name |
5-benzyl-N-[(3R)-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 |
C20H17N3O4
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| Molecular Weight |
363.373
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| Canonical SMILES |
O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
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| InChI |
InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m1/s1
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| InChIKey |
HMBAEAQKWTXBHE-QGZVFWFLSA-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