Details
Stereochemistry | RACEMIC |
Molecular Formula | C31H23Cl6N2O.Cl |
Molecular Weight | 687.698 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].ClC1=CC=C(C=C1)C(N2C=C[N+](CC(OCC3=CC=C(Cl)C=C3Cl)C4=CC=C(Cl)C=C4Cl)=C2)C5=CC=C(Cl)C=C5
InChI
InChIKey=YGEIMSMISRCBFF-UHFFFAOYSA-M
InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1
Molecular Formula | C31H23Cl6N2O |
Molecular Weight | 652.245 |
Charge | 1 |
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: CHEMBL2111322 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10856426 |
0.15 µM [IC50] | ||
Target ID: CHEMBL6093 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15130089 |
|||
Target ID: Ca2+-transporting ATPase Sources: https://www.ncbi.nlm.nih.gov/pubmed/6141789 |
0.35 µM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:47:07 GMT 2023
by
admin
on
Sat Dec 16 18:47:07 GMT 2023
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Record UNII |
8CQN259H2W
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Record Status |
Validated (UNII)
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Record Version |
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-
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8CQN259H2W
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DTXSID501017259
Created by
admin on Sat Dec 16 18:47:07 GMT 2023 , Edited by admin on Sat Dec 16 18:47:07 GMT 2023
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ACTIVE MOIETY |