General Information of the Compound
| Compound ID |
CP0334500
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| Compound Name |
(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
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| Structure |
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| Formula |
C16H21F3N2O
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| Molecular Weight |
314.351
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| Canonical SMILES |
Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F
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| InChI |
InChI=1S/C16H21F3N2O/c17-14-2-1-11(15(18)16(14)19)10-21(13-3-6-20-9-13)12-4-7-22-8-5-12/h1-2,12-13,20H,3-10H2/t13-/m0/s1
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| InChIKey |
RVDUVVPILREHEK-ZDUSSCGKSA-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