General Information of the Compound
| Compound ID |
CP0375400
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(4-fluorophenyl)indol-3-yl]-N-methylbutan-1-amine
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| Structure |
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| Formula |
C29H33FN2O2
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| Molecular Weight |
460.593
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| Canonical SMILES |
COc1ccc(CCN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1OC
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| InChI |
InChI=1S/C29H33FN2O2/c1-31(19-17-22-11-16-28(33-2)29(20-22)34-3)18-7-6-8-23-21-32(25-14-12-24(30)13-15-25)27-10-5-4-9-26(23)27/h4-5,9-16,20-21H,6-8,17-19H2,1-3H3
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| InChIKey |
OWDQODZHDSVYJT-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