General Information of the Compound
| Compound ID |
CP0460901
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| Compound Name |
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
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| InChI |
InChI=1S/C26H34N4O2/c27-11-9-19-17-29-25-7-5-21(15-23(19)25)31-13-3-1-2-4-14-32-22-6-8-26-24(16-22)20(10-12-28)18-30-26/h5-8,15-18,29-30H,1-4,9-14,27-28H2
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| InChIKey |
KKDGSWZZEGKXRP-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D