General Information of the Compound
| Compound ID |
CP0035526
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| Compound Name |
(6S,7S)-6-[4-(4-cyano-3-isopropyl-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 |
C24H30N4O3
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| Molecular Weight |
422.529
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| Canonical SMILES |
CC(C)c1cc(ccc1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
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| InChI |
InChI=1S/C24H30N4O3/c1-15(2)19-11-17(3-4-18(19)13-25)16-5-9-28(10-6-16)23(30)21-20(22(29)27-31)12-24(7-8-24)14-26-21/h3-5,11,15,20-21,26,31H,6-10,12,14H2,1-2H3,(H,27,29)/t20-,21-/m0/s1
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| InChIKey |
WIQCNJLTNFUAEJ-SFTDATJTSA-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