General Information of the Compound
| Compound ID |
CP0400063
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| Compound Name |
2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-(3,3,5,5-tetramethylcyclohexyl)acetamide
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| Structure |
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| Formula |
C31H43N3O2
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| Molecular Weight |
489.704
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| Canonical SMILES |
CC1(C)CC(CC(C)(C)C1)C(C(=O)NC1CCN(CC1)C(=O)CCc1cccnc1)c1ccccc1
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| InChI |
InChI=1S/C31H43N3O2/c1-30(2)19-25(20-31(3,4)22-30)28(24-10-6-5-7-11-24)29(36)33-26-14-17-34(18-15-26)27(35)13-12-23-9-8-16-32-21-23/h5-11,16,21,25-26,28H,12-15,17-20,22H2,1-4H3,(H,33,36)
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| InChIKey |
QCTUCCZZCGXETJ-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