General Information of the Compound
| Compound ID |
CP0392699
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| Compound Name |
4-(1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]butan-1-amine
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| Structure |
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| Formula |
C21H26N2O2
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| Molecular Weight |
338.451
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| Canonical SMILES |
COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H26N2O2/c1-24-20-11-4-5-12-21(20)25-15-14-22-13-7-6-8-17-16-23-19-10-3-2-9-18(17)19/h2-5,9-12,16,22-23H,6-8,13-15H2,1H3
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| InChIKey |
SOVXXZPVUNBMAR-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