General Information of the Compound
| Compound ID |
CP0294860
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| Compound Name |
N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]azepan-4-yl]-5-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C30H36FN3O3
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| Molecular Weight |
505.634
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| Canonical SMILES |
CCOc1cc(CN2CCCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H36FN3O3/c1-4-36-27-16-22(17-28(37-5-2)29(27)23-8-10-25(31)11-9-23)20-34-13-6-7-26(12-14-34)33-30(35)24-15-21(3)18-32-19-24/h8-11,15-19,26H,4-7,12-14,20H2,1-3H3,(H,33,35)
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| InChIKey |
XOKQXPCDCRWFMF-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