Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H17Cl2NO3 |
| Molecular Weight | 366.238 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1CN(CC2=CC=C(OCC3=CC=C(Cl)C(Cl)=C3)C=C2)C1
InChI
InChIKey=WAAWETUDFSIYSD-UHFFFAOYSA-N
InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)
| Molecular Formula | C18H17Cl2NO3 |
| Molecular Weight | 366.238 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: Q9H228 Gene ID: 53637.0 Gene Symbol: S1PR5 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26509640 |
6.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 09:14:49 GMT 2025
by
admin
on
Wed Apr 02 09:14:49 GMT 2025
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| Record UNII |
3QLJ2AZ8GW
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| Record Status |
Validated (UNII)
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| Record Version |
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1240308-45-5
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DTXSID301045800
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3QLJ2AZ8GW
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46872626
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A-971432
Created by
admin on Wed Apr 02 09:14:49 GMT 2025 , Edited by admin on Wed Apr 02 09:14:49 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> AGONIST |
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