General Information of the Compound
| Compound ID |
CP0447518
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| Compound Name |
(3R)-3-[(S)-(2,6-dichloro-3,5-difluorophenoxy)-phenylmethyl]pyrrolidine
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| Structure |
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| Formula |
C17H15Cl2F2NO
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| Molecular Weight |
358.215
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| Canonical SMILES |
Fc1cc(F)c(Cl)c(O[C@@H]([C@@H]2CCNC2)c2ccccc2)c1Cl
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| InChI |
InChI=1S/C17H15Cl2F2NO/c18-14-12(20)8-13(21)15(19)17(14)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m1/s1
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| InChIKey |
IJNSXDVGJQEXPC-BDJLRTHQSA-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