General Information of the Compound
| Compound ID |
CP0965915
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| Compound Name |
3-(2-(4-(2-((1-Benzylpiperidin-4-yl)methyl)-1-oxo-2,3-dihydro-1H-inden-5-yl)piperazin-1-yl)ethyl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C37H41N5O
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| Molecular Weight |
571.769
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| Canonical SMILES |
N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5c(c4)CC(CC4CCN(Cc6ccccc6)CC4)C5=O)CC3)c2c1
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| InChI |
InChI=1S/C37H41N5O/c38-24-29-6-9-36-35(21-29)30(25-39-36)12-15-40-16-18-42(19-17-40)33-7-8-34-31(23-33)22-32(37(34)43)20-27-10-13-41(14-11-27)26-28-4-2-1-3-5-28/h1-9,21,23,25,27,32,39H,10-20,22,26H2
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| InChIKey |
AYUHQCVJVHIHCA-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