General Information of the Compound
| Compound ID |
CP0295552
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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 benzyl ester
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| Structure |
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C28H31N3O5/c32-25(29-35)23-17-28(13-14-28)19-31(27(34)36-18-20-7-3-1-4-8-20)24(23)26(33)30-15-11-22(12-16-30)21-9-5-2-6-10-21/h1-11,15,22-24,35H,12-14,16-19H2,(H,29,32)/t22?,23-,24-/m0/s1
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| InChIKey |
XZAGAORJLXBQCC-VYCPFJESSA-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