General Information of the Compound
| Compound ID |
CP0430174
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| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2,6-difluorophenyl)piperazine
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| Structure |
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| Formula |
C27H28F2N6
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| Molecular Weight |
474.559
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| Canonical SMILES |
Fc1cccc(F)c1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H28F2N6/c28-23-13-7-14-24(29)26(23)34-19-17-33(18-20-34)15-8-16-35-27(30-31-32-35)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-14,25H,8,15-20H2
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| InChIKey |
BLOLLUABDGLNQC-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