General Information of the Compound
| Compound ID |
CP0186086
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| Compound Name |
(3S)-3-[(R)-phenyl-(2,3,6-trichlorophenoxy)methyl]pyrrolidine
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| Structure |
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| Formula |
C17H16Cl3NO
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| Molecular Weight |
356.68
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| Canonical SMILES |
Clc1ccc(Cl)c(O[C@H]([C@H]2CCNC2)c2ccccc2)c1Cl
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| InChI |
InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1
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| InChIKey |
HIKRIVCRSDESKA-LRDDRELGSA-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