General Information of the Compound
| Compound ID |
CP0425330
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| Compound Name |
3-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
C(CNCCOc1cccc2[nH]ccc12)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H23N3O/c1-2-7-19-17(6-1)16(15-24-19)5-4-11-22-13-14-25-21-9-3-8-20-18(21)10-12-23-20/h1-3,6-10,12,15,22-24H,4-5,11,13-14H2
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| InChIKey |
FJYSNFYXXFBCDC-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