General Information of the Compound
| Compound ID |
CP0420949
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| Compound Name |
3-[1-(4-fluorophenyl)-5-[(E)-2-phenylethenyl]-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C27H28FNO
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| Molecular Weight |
401.525
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| Canonical SMILES |
CN(C)CCCC1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H28FNO/c1-29(2)18-6-17-27(24-12-14-25(28)15-13-24)26-16-11-22(19-23(26)20-30-27)10-9-21-7-4-3-5-8-21/h3-5,7-16,19H,6,17-18,20H2,1-2H3/b10-9+
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| InChIKey |
MLWGDFBBAVXEAS-MDZDMXLPSA-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