General Information of the Compound
| Compound ID |
CP0435862
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| Compound Name |
1-(4-fluorophenyl)-1-[3-[1H-indol-3-ylmethyl(methyl)amino]propyl]-3H-2-benzofuran-5-carbonitrile
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| Structure |
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| Formula |
C28H26FN3O
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| Molecular Weight |
439.534
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| Canonical SMILES |
CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C28H26FN3O/c1-32(18-22-17-31-27-6-3-2-5-25(22)27)14-4-13-28(23-8-10-24(29)11-9-23)26-12-7-20(16-30)15-21(26)19-33-28/h2-3,5-12,15,17,31H,4,13-14,18-19H2,1H3
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| InChIKey |
IFNVQDLRTIRQNZ-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