General Information of the Compound
| Compound ID |
CP0447428
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| Compound Name |
5-benzyl-N-[(4S)-5-oxo-2,3,4,6-tetrahydro-1,6-benzoxazocin-4-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 |
O=C(N[C@H]1CCOc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
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| InChI |
InChI=1S/C21H19N3O4/c25-20-17(10-11-27-19-9-5-4-8-16(19)22-20)23-21(26)18-13-15(28-24-18)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,22,25)(H,23,26)/t17-/m0/s1
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| InChIKey |
LJJNVLRAHSNYBH-KRWDZBQOSA-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