General Information of the Compound
| Compound ID |
CP0807128
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| Compound Name |
(S)-2-((S)-(2-chloro-4-fluorophenoxy)(phenyl)methyl)morpholine
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| Structure |
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| Formula |
C17H17ClFNO2
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| Molecular Weight |
321.779
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| Canonical SMILES |
Fc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c(Cl)c1
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| InChI |
InChI=1S/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2/t16-,17-/m0/s1
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| InChIKey |
ZHYJMAJSBAQRIU-IRXDYDNUSA-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