General Information of the Compound
| Compound ID |
CP0478895
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| Compound Name |
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C22H21FN2O2
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| Molecular Weight |
364.42
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| Canonical SMILES |
COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(F)cc3)c12
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| InChI |
InChI=1S/C22H21FN2O2/c1-26-21-4-2-3-19-22(21)16(13-25-19)11-12-24-14-18-9-10-20(27-18)15-5-7-17(23)8-6-15/h2-10,13,24-25H,11-12,14H2,1H3
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| InChIKey |
ZHDWWMHCYAMTEL-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