General Information of the Compound
| Compound ID |
CP0035537
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| Compound Name |
(6S,7S)-6-[4-(3-methoxy-phenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
COc1cccc(c1)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
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| InChI |
InChI=1S/C21H27N3O4/c1-28-16-4-2-3-15(11-16)14-5-9-24(10-6-14)20(26)18-17(19(25)23-27)12-21(7-8-21)13-22-18/h2-5,11,17-18,22,27H,6-10,12-13H2,1H3,(H,23,25)/t17-,18-/m0/s1
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| InChIKey |
IDLHJNPBZBJSDO-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