General Information of the Compound
| Compound ID |
CP0457588
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| Compound Name |
N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]hexadecanediamide
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| Structure |
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| Formula |
C44H64N6O2
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| Molecular Weight |
709.036
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| Canonical SMILES |
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
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| InChI |
InChI=1S/C44H64N6O2/c1-49-25-21-33(22-26-49)39-31-45-41-19-17-35(29-37(39)41)47-43(51)15-13-11-9-7-5-3-4-6-8-10-12-14-16-44(52)48-36-18-20-42-38(30-36)40(32-46-42)34-23-27-50(2)28-24-34/h17-20,29-34,45-46H,3-16,21-28H2,1-2H3,(H,47,51)(H,48,52)
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| InChIKey |
GLFGPLGRTXDESE-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D