General Information of the Compound
| Compound ID |
CP0406664
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| Compound Name |
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
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| Structure |
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| Formula |
C27H29FN2O
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| Molecular Weight |
416.54
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| Canonical SMILES |
COc1cccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1
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| InChI |
InChI=1S/C27H29FN2O/c1-31-25-9-6-7-21(19-25)16-18-29-17-5-4-8-22-20-30(24-14-12-23(28)13-15-24)27-11-3-2-10-26(22)27/h2-3,6-7,9-15,19-20,29H,4-5,8,16-18H2,1H3
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| InChIKey |
UHSWIZQHUWNIQL-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