General Information of the Compound
| Compound ID |
CP0869918
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| Compound Name |
3-methoxy-4-((S)-((S)-morpholin-2-yl)(phenyl)methoxy)benzonitrile
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| Structure |
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| Formula |
C19H20N2O3
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| Molecular Weight |
324.38
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| Canonical SMILES |
COc1cc(C#N)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C19H20N2O3/c1-22-17-11-14(12-20)7-8-16(17)24-19(15-5-3-2-4-6-15)18-13-21-9-10-23-18/h2-8,11,18-19,21H,9-10,13H2,1H3/t18-,19-/m0/s1
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| InChIKey |
FXNBCHXTTZIOEI-OALUTQOASA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter