General Information of the Compound
| Compound ID |
CP0467237
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| Compound Name |
(3S,5S)-N-benzyl-5-[(4-nitrophenyl)methyl]-6-oxomorpholine-3-carboxamide
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| Structure |
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| Formula |
C19H19N3O5
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| Molecular Weight |
369.377
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| Canonical SMILES |
[O-][N+](=O)c1ccc(C[C@@H]2N[C@@H](COC2=O)C(=O)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C19H19N3O5/c23-18(20-11-14-4-2-1-3-5-14)17-12-27-19(24)16(21-17)10-13-6-8-15(9-7-13)22(25)26/h1-9,16-17,21H,10-12H2,(H,20,23)/t16-,17-/m0/s1
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| InChIKey |
LIRLGPFNGSYNTC-IRXDYDNUSA-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