General Information of the Compound
| Compound ID |
CP0381819
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| Compound Name |
2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine
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| Structure |
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| Formula |
C27H30F2N2
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| Molecular Weight |
420.547
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| Canonical SMILES |
Fc1ccc(cc1)C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-17-14-21-15-18-31(19-16-21)20-22-4-2-1-3-5-22/h1-13,21,27,30H,14-20H2
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| InChIKey |
VGRLTUHUYGCCLF-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: PT00871, Sodium-dependent serotonin transporter