Details
Stereochemistry | RACEMIC |
Molecular Formula | C9H12FN.ClH |
Molecular Weight | 189.658 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(N)CC1=CC=C(F)C=C1
InChI
InChIKey=GKWYMWZWSCKSMT-UHFFFAOYSA-N
InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
Molecular Formula | C9H12FN |
Molecular Weight | 153.1967 |
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: CHEMBL238 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17223101 |
0.77 µM [IC50] | ||
Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17223101 |
6.8 µM [IC50] | ||
Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17223101 |
0.42 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:29:04 GMT 2023
by
admin
on
Sat Dec 16 10:29:04 GMT 2023
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Record UNII |
YIJ78M8D5Q
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Record Status |
Validated (UNII)
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Record Version |
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-
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120675
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YIJ78M8D5Q
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459-01-8
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DTXSID50963459
Created by
admin on Sat Dec 16 10:29:04 GMT 2023 , Edited by admin on Sat Dec 16 10:29:04 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |