General Information of the Compound
| Compound ID |
CP0460619
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| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-pyridin-2-ylpiperazine
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| Structure |
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| Formula |
C26H29N7
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| Molecular Weight |
439.567
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| Canonical SMILES |
C(CN1CCN(CC1)c1ccccn1)Cn1nnnc1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H29N7/c1-3-10-22(11-4-1)25(23-12-5-2-6-13-23)26-28-29-30-33(26)17-9-16-31-18-20-32(21-19-31)24-14-7-8-15-27-24/h1-8,10-15,25H,9,16-21H2
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| InChIKey |
QFPZKBZNFARHAZ-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