General Information of the Compound
| Compound ID |
CP0572754
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(4-fluorophenyl)indol-3-yl]butan-1-amine
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| Structure |
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| Formula |
C28H31FN2O2
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| Molecular Weight |
446.566
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| Canonical SMILES |
COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
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| InChI |
InChI=1S/C28H31FN2O2/c1-32-27-15-10-21(19-28(27)33-2)16-18-30-17-6-5-7-22-20-31(24-13-11-23(29)12-14-24)26-9-4-3-8-25(22)26/h3-4,8-15,19-20,30H,5-7,16-18H2,1-2H3
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| InChIKey |
CEDSGBYFMAOKAT-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