General Information of the Compound
| Compound ID |
CP0457713
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| Compound Name |
3-[3-(4-fluorophenyl)-1H-benzo[f][2]benzofuran-3-yl]-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C23H24FNO
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| Molecular Weight |
349.449
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| Canonical SMILES |
CN(C)CCCC1(OCc2cc3ccccc3cc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H24FNO/c1-25(2)13-5-12-23(20-8-10-21(24)11-9-20)22-15-18-7-4-3-6-17(18)14-19(22)16-26-23/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3
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| InChIKey |
PEUQZFKZKXCLJF-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