General Information of the Compound
| Compound ID |
CP0394215
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| Compound Name |
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetyl}-piperazin-1-yl)-ethanone
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| Structure |
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| Formula |
C28H34N6O4
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| Molecular Weight |
518.618
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| Canonical SMILES |
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
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| InChI |
InChI=1S/C28H34N6O4/c29-7-5-19-15-31-25-3-1-21(13-23(19)25)37-17-27(35)33-9-11-34(12-10-33)28(36)18-38-22-2-4-26-24(14-22)20(6-8-30)16-32-26/h1-4,13-16,31-32H,5-12,17-18,29-30H2
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| InChIKey |
BNMIOTKQNUSAEJ-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