General Information of the Compound
| Compound ID |
CP0494088
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| Compound Name |
2-Aminomethyl-5-(pentafluorophenethyl)tetrahydrofuran
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| Structure |
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| Formula |
C13H14F5NO
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| Molecular Weight |
295.251
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| Canonical SMILES |
NCC1CCC(CCc2c(F)c(F)c(F)c(F)c2F)O1
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| InChI |
InChI=1S/C13H14F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)4-3-6-1-2-7(5-19)20-6/h6-7H,1-5,19H2
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| InChIKey |
IBMMANZZPBFJNC-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