General Information of the Compound
| Compound ID |
CP0451709
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| Compound Name |
1-[4-(5-benzhydryltetrazol-1-yl)butyl]-4-(2-phenylethyl)piperazine
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| Structure |
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| Formula |
C30H36N6
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| Molecular Weight |
480.66
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| Canonical SMILES |
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C30H36N6/c1-4-12-26(13-5-1)18-21-35-24-22-34(23-25-35)19-10-11-20-36-30(31-32-33-36)29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,29H,10-11,18-25H2
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| InChIKey |
ZEIBSGCMGHPJJP-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