General Information of the Compound
| Compound ID |
CP0471633
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| Compound Name |
1-[3-[[1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]methyl-methylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
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| Structure |
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| Formula |
C39H41F2N3O2
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| Molecular Weight |
621.772
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| Canonical SMILES |
CN(C)CCCC1(OCc2cc(CN(C)CCCC3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)ccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C39H41F2N3O2/c1-43(2)20-4-18-38(32-8-12-34(40)13-9-32)37-17-7-29(23-31(37)27-46-38)25-44(3)21-5-19-39(33-10-14-35(41)15-11-33)36-16-6-28(24-42)22-30(36)26-45-39/h6-17,22-23H,4-5,18-21,25-27H2,1-3H3
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| InChIKey |
PVWATSQEKUHFAQ-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