General Information of the Compound
| Compound ID |
CP0479795
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| Compound Name |
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-[4-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetyl}-piperazin-1-yl)-phenyl]-acetamide
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| Structure |
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| Formula |
C34H39N7O4
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| Molecular Weight |
609.731
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| Canonical SMILES |
NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(cc3)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
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| InChI |
InChI=1S/C34H39N7O4/c35-11-9-23-19-37-31-7-5-27(17-29(23)31)44-21-33(42)39-25-1-3-26(4-2-25)40-13-15-41(16-14-40)34(43)22-45-28-6-8-32-30(18-28)24(10-12-36)20-38-32/h1-8,17-20,37-38H,9-16,21-22,35-36H2,(H,39,42)
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| InChIKey |
LYNZLARMPRESRP-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