General Information of the Compound
| Compound ID |
CP0476508
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| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-phenylethyl)piperazine
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| Structure |
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| Formula |
C29H34N6
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| Molecular Weight |
466.633
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| Canonical SMILES |
C(CN1CCN(CCc2ccccc2)CC1)Cn1nnnc1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H34N6/c1-4-11-25(12-5-1)17-20-34-23-21-33(22-24-34)18-10-19-35-29(30-31-32-35)28(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
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| InChIKey |
JIGXAAPWYHURHK-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter