General Information of the Compound
| Compound ID |
CP0372361
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| Compound Name |
Biphenyl-4,4'-disulfonic acid bis-({6-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-hexyl}-amide)
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| Structure |
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| Formula |
C44H56N6O6S2
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| Molecular Weight |
829.102
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| Canonical SMILES |
NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(cc3)-c3ccc(cc3)S(=O)(=O)NCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
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| InChI |
InChI=1S/C44H56N6O6S2/c45-23-21-35-31-47-43-19-13-37(29-41(35)43)55-27-7-3-1-5-25-49-57(51,52)39-15-9-33(10-16-39)34-11-17-40(18-12-34)58(53,54)50-26-6-2-4-8-28-56-38-14-20-44-42(30-38)36(22-24-46)32-48-44/h9-20,29-32,47-50H,1-8,21-28,45-46H2
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| InChIKey |
GEUIMYGOMQGWKQ-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