Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H18N2OS.ClH |
| Molecular Weight | 322.853 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(N)CC1=CNC2=CC=C(OCC3=CC=CS3)C=C12
InChI
InChIKey=PYJBJMIBANAOFJ-UHFFFAOYSA-N
InChI=1S/C16H18N2OS.ClH/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14;/h2-6,8-9,11,18H,7,10,17H2,1H3;1H
| Molecular Formula | C16H18N2OS |
| Molecular Weight | 286.392 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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: CHEMBL1833 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9144661 |
7.2 null [pEC50] | ||
Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9144661 |
7.0 null [pEC50] | ||
Target ID: CHEMBL225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9144661 |
6.3 null [pEC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:52:03 GMT 2025
by
admin
on
Wed Apr 02 12:52:03 GMT 2025
|
| Record UNII |
8JMH6M2ELN
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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BW-723C86
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160521-72-2
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5311036
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DTXSID90415503
Created by
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8JMH6M2ELN
Created by
admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> AGONIST |
BINDING
IC50
|