General Information of the Compound
| Compound ID |
CP0381387
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| Compound Name |
N-[[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]methyl]-2-methylbenzamide
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| Structure |
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| Formula |
C26H36N2O2
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| Molecular Weight |
408.586
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| Canonical SMILES |
Cc1ccccc1C(=O)NCC1CCN(CCOc2ccccc2C(C)(C)C)CC1
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| InChI |
InChI=1S/C26H36N2O2/c1-20-9-5-6-10-22(20)25(29)27-19-21-13-15-28(16-14-21)17-18-30-24-12-8-7-11-23(24)26(2,3)4/h5-12,21H,13-19H2,1-4H3,(H,27,29)
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| InChIKey |
DRPWJUYTBDTMPB-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