General Information of the Compound
| Compound ID |
CP0441794
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| Compound Name |
(3S,5S)-5-[(4-nitrophenyl)methyl]-6-oxo-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
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| Structure |
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| Formula |
C20H21N3O5
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| Molecular Weight |
383.404
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)N1)c1ccccc1
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| InChI |
InChI=1S/C20H21N3O5/c1-13(15-5-3-2-4-6-15)21-19(24)18-12-28-20(25)17(22-18)11-14-7-9-16(10-8-14)23(26)27/h2-10,13,17-18,22H,11-12H2,1H3,(H,21,24)/t13-,17-,18-/m0/s1
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| InChIKey |
SFJZUUDKNPCJAG-KKXDTOCCSA-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