General Information of the Compound
| Compound ID |
CP0321243
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| Compound Name |
(6S,7S)-6-[4-(4-cyano-3,5-dimethyl-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 |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
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| InChI |
InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1
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| InChIKey |
JLFCWOIZNQXZMP-ICSRJNTNSA-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