General Information of the Compound
| Compound ID |
CP0495607
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| Compound Name |
4-benzyl-1-[2-[5-(4-nitrophenyl)tetrazol-1-yl]ethyl]piperidine
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| Structure |
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| Formula |
C21H24N6O2
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| Molecular Weight |
392.463
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-c1nnnn1CCN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H24N6O2/c28-27(29)20-8-6-19(7-9-20)21-22-23-24-26(21)15-14-25-12-10-18(11-13-25)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2
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| InChIKey |
FMUSTPSFDOKRPZ-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