General Information of the Compound
| Compound ID |
CP0492097
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| Compound Name |
1-[2-(5-benzhydryltetrazol-1-yl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
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| Structure |
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| Formula |
C29H32N6
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| Molecular Weight |
464.617
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| Canonical SMILES |
C(Cn1nnnc1C(c1ccccc1)c1ccccc1)N1CCN(C\C=C\c2ccccc2)CC1
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| InChI |
InChI=1S/C29H32N6/c1-4-11-25(12-5-1)13-10-18-33-19-21-34(22-20-33)23-24-35-29(30-31-32-35)28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
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| InChIKey |
OYJHLBDEBCETOE-JLHYYAGUSA-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