General Information of the Compound
| Compound ID |
CP0403124
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| Compound Name |
5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
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| InChI |
InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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| InChIKey |
XIBTUZZUCSZXOR-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