General Information of the Compound
| Compound ID |
CP0930730
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| Compound Name |
4-[4-(2-tert-Butylcarbamoyl-phenyl)-2-hydroxy-butyl]-1-isopropyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid tert-butylamide
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| Structure |
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| Formula |
C28H45N3O3
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| Molecular Weight |
471.686
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| Canonical SMILES |
CC(C)N1CCC(CC(O)CCc2ccccc2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1
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| InChI |
InChI=1S/C28H45N3O3/c1-19(2)31-16-15-21(24(18-31)26(34)30-28(6,7)8)17-22(32)14-13-20-11-9-10-12-23(20)25(33)29-27(3,4)5/h9-12,19,22,32H,13-18H2,1-8H3,(H,29,33)(H,30,34)
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| InChIKey |
RWTXFFKCVUPPAH-UHFFFAOYSA-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