Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H18NO4.Cl |
Molecular Weight | 383.825 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].COC1=C(OC)C=C2C(=C1)C=[N+](C)C3=C2C=CC4=C3C=C5OCOC5=C4
InChI
InChIKey=QLDAACVSUMUMOR-UHFFFAOYSA-M
InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
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 |
Molecular Formula | C21H18NO4 |
Molecular Weight | 348.3719 |
Charge | 1 |
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: CHEMBL2094255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517 |
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Target ID: CHEMBL1781 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30132517 |
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Target ID: CHEMBL1843 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24794108 |
1.34 mM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:53:52 GMT 2023
by
admin
on
Sat Dec 16 07:53:52 GMT 2023
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Record UNII |
XO8WQL69T8
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Record Status |
Validated (UNII)
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Record Version |
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146397
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XO8WQL69T8
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25659
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admin on Sat Dec 16 07:53:52 GMT 2023 , Edited by admin on Sat Dec 16 07:53:52 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |