General Information of the Compound
| Compound ID |
CP0902808
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| Compound Name |
(S)-2-((S)-(4-chloro-2-methoxyphenoxy)(3-fluorophenyl)methyl)morpholine
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| Structure |
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| Formula |
C18H19ClFNO3
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| Molecular Weight |
351.805
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| Canonical SMILES |
COc1cc(Cl)ccc1O[C@@H](c1cccc(F)c1)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C18H19ClFNO3/c1-22-16-10-13(19)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-14(20)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17-,18-/m0/s1
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| InChIKey |
SGXWOKUJCWMPJE-ROUUACIJSA-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