General Information of the Compound
| Compound ID |
CP0415516
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| Compound Name |
4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
C(CCc1c[nH]c2ccccc12)CNCCOc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C22H25N3O/c1-2-8-20-18(7-1)17(16-25-20)6-3-4-12-23-14-15-26-22-10-5-9-21-19(22)11-13-24-21/h1-2,5,7-11,13,16,23-25H,3-4,6,12,14-15H2
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| InChIKey |
UIXPCYZWBFDFKV-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter