General Information of the Compound
| Compound ID |
CP0950361
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| Compound Name |
3-((4-(2-((1-Benzylpiperidin-4-yl)methyl)-1-oxo-2,3-dihydro-1H-inden-5-yl)piperazin-1-yl)methyl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C36H39N5O
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| Molecular Weight |
557.742
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| Canonical SMILES |
N#Cc1ccc2[nH]cc(CN3CCN(c4ccc5c(c4)CC(CC4CCN(Cc6ccccc6)CC4)C5=O)CC3)c2c1
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| InChI |
InChI=1S/C36H39N5O/c37-22-28-6-9-35-34(19-28)31(23-38-35)25-40-14-16-41(17-15-40)32-7-8-33-29(21-32)20-30(36(33)42)18-26-10-12-39(13-11-26)24-27-4-2-1-3-5-27/h1-9,19,21,23,26,30,38H,10-18,20,24-25H2
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| InChIKey |
XIXMLCBRBJTWJB-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: PT00871, Sodium-dependent serotonin transporter