General Information of the Compound
| Compound ID |
CP0560220
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| Compound Name |
1-[2-(5-benzhydryltetrazol-1-yl)ethyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)32-19-16-31(17-20-32)18-21-33-27(28-29-30-33)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
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| InChIKey |
PMWATBVZJCKXLV-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