General Information of the Compound
| Compound ID |
CP0485869
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| Compound Name |
1-[4-(5-benzhydryltetrazol-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C29H34N6O
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| Molecular Weight |
482.632
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C29H34N6O/c1-36-27-17-9-8-16-26(27)34-22-20-33(21-23-34)18-10-11-19-35-29(30-31-32-35)28(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-9,12-17,28H,10-11,18-23H2,1H3
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| InChIKey |
IPUKOWSQRNYJJD-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