General Information of the Compound
| Compound ID |
CP0387621
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| Compound Name |
3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine
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| Structure |
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| Formula |
C17H18F2N2O
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| Molecular Weight |
304.34
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| Canonical SMILES |
Fc1cccc(OC(C2CCNCC2)c2cccnc2)c1F
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| InChI |
InChI=1S/C17H18F2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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| InChIKey |
XLDPRVVEMAUFLK-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