General Information of the Compound
| Compound ID |
CP0484195
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| Compound Name |
1-(4-fluorophenyl)-1-[3-[methyl(2-phenylethyl)amino]propyl]-3H-2-benzofuran-5-carbonitrile
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| Structure |
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| Formula |
C27H27FN2O
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| Molecular Weight |
414.524
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| Canonical SMILES |
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CCc1ccccc1
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| InChI |
InChI=1S/C27H27FN2O/c1-30(17-14-21-6-3-2-4-7-21)16-5-15-27(24-9-11-25(28)12-10-24)26-13-8-22(19-29)18-23(26)20-31-27/h2-4,6-13,18H,5,14-17,20H2,1H3
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| InChIKey |
DXRQZUHPJZHMKP-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