General Information of the Compound
| Compound ID |
CP0396895
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| Compound Name |
1-[(3,4-dimethoxyphenyl)methyl]-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H37FN2O3
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| Molecular Weight |
468.613
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)C(=O)NCC2(CCCCC2)c2ccc(F)cc2)cc1OC
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| InChI |
InChI=1S/C28H37FN2O3/c1-33-25-11-6-21(18-26(25)34-2)19-31-16-12-22(13-17-31)27(32)30-20-28(14-4-3-5-15-28)23-7-9-24(29)10-8-23/h6-11,18,22H,3-5,12-17,19-20H2,1-2H3,(H,30,32)
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| InChIKey |
OMXIBLNDNZLNPO-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