General Information of the Compound
| Compound ID |
CP0209981
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| Compound Name |
(6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid methyl ester
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| Structure |
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| Formula |
C22H29N3O5
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| Molecular Weight |
415.49
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| Canonical SMILES |
COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(CC1)c1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C22H29N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-6,16-18,29H,7-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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| InChIKey |
YQLRSUQLXQKLGB-ROUUACIJSA-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