General Information of the Compound
| Compound ID |
CP0035540
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| Compound Name |
(6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro-2H-pyridine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid isobutyl ester
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| Structure |
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| Formula |
C25H33N3O5
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| Molecular Weight |
455.555
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| Canonical SMILES |
CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C25H33N3O5/c1-17(2)15-33-24(31)28-16-25(10-11-25)14-20(22(29)26-32)21(28)23(30)27-12-8-19(9-13-27)18-6-4-3-5-7-18/h3-8,12,17,19-21,32H,9-11,13-16H2,1-2H3,(H,26,29)/t19?,20-,21-/m0/s1
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| InChIKey |
PEAOAVRAGQRJEO-AKQSQHNNSA-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