General Information of the Compound
| Compound ID |
CP0460618
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| Compound Name |
1-[2-(5-benzhydryltetrazol-1-yl)ethyl]-4-(4-chlorophenyl)piperazine
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| Structure |
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| Formula |
C26H27ClN6
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| Molecular Weight |
458.997
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H27ClN6/c27-23-11-13-24(14-12-23)32-18-15-31(16-19-32)17-20-33-26(28-29-30-33)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2
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| InChIKey |
FKDXEVQWZJEIRQ-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