General Information of the Compound
| Compound ID |
CP0166297
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| Compound Name |
(S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
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| Structure |
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| Formula |
C13H13Cl2F3N2O
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| Molecular Weight |
341.16
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| Canonical SMILES |
FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
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| InChIKey |
IUTSKNRONKMGOS-QMMMGPOBSA-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