Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H22F2N4O.ClH |
Molecular Weight | 384.851 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.OC(CCCN1CCN(CC1)C2=NC=C(F)C=N2)C3=CC=C(F)C=C3
InChI
InChIKey=NIBVEFRJDFVQLM-UHFFFAOYSA-N
InChI=1S/C18H22F2N4O.ClH/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18;/h3-6,12-13,17,25H,1-2,7-11H2;1H
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 | C18H22F2N4O |
Molecular Weight | 348.3903 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q99720|||Q7Z653 Gene ID: 10280.0 Gene Symbol: SIGMAR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11784148 |
265.0 nM [Ki] | ||
Target ID: Q5BJF2 Gene ID: 27346.0 Gene Symbol: TMEM97 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11784148 |
391.0 nM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:28:51 GMT 2023
by
admin
on
Fri Dec 15 15:28:51 GMT 2023
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Record UNII |
14F9C3J43Y
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Record Status |
Validated (UNII)
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Record Version |
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-
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14F9C3J43Y
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105565-55-7
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3086514
Created by
admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |