General Information of the Compound
| Compound ID |
CP0013114
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| Compound Name |
CAS_386750-22-7
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| Synonyms |
Desvenlafaxine
Desvenlafaxine (INN)
Desvenlafaxine [INN:BAN]
Norvenlafaxine
O-DESMETHYLVENLAFAXINE (ODV)
O-Desmethylvenlafaxine
WY 45,233
WY-45,233
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| Structure |
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| Formula |
C16H25NO2
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| Molecular Weight |
263.381
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| Canonical SMILES |
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
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| InChI |
InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
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| InChIKey |
KYYIDSXMWOZKMP-UHFFFAOYSA-N
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| CAS |
93413-62-8
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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
Clinical Information about the Compound