General Information of the Compound
| Compound ID |
CP0554969
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| Compound Name |
4-[(4-tert-butylphenoxy)methyl]-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C28H38N2O2
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| Molecular Weight |
434.624
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| Canonical SMILES |
CC(C)(C)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(C2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C28H38N2O2/c1-28(2,3)23-13-15-26(16-14-23)32-20-21-9-11-22(12-10-21)27(31)29-24-17-18-30(19-24)25-7-5-4-6-8-25/h9-16,24-25H,4-8,17-20H2,1-3H3,(H,29,31)
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| InChIKey |
VNUFIDKUMNRAMN-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