General Information of the Compound
| Compound ID |
CP0482669
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| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(3-fluorophenyl)piperazine
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| Structure |
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| Formula |
C27H29FN6
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| Molecular Weight |
456.569
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| Canonical SMILES |
Fc1cccc(c1)N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H29FN6/c28-24-13-7-14-25(21-24)33-19-17-32(18-20-33)15-8-16-34-27(29-30-31-34)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-14,21,26H,8,15-20H2
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| InChIKey |
MRUQKJACXWGSTF-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