Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H18F6N2O5S |
Molecular Weight | 512.423 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@@]1(CN(C2)C(=O)C3=CC(=CC=C3O[C@H](C)C(F)(F)F)S(C)(=O)=O)C4=NOC(=C4)C(F)(F)F
InChI
InChIKey=MYHDQTVHHMSLEF-DDBGAENHSA-N
InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1
Molecular Formula | C20H18F6N2O5S |
Molecular Weight | 512.423 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:51:50 GMT 2023
by
admin
on
Fri Dec 15 15:51:50 GMT 2023
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Record UNII |
M43ZDU10DD
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Record Status |
Validated (UNII)
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Record Version |
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-
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M43ZDU10DD
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C184894
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300000026711
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155259577
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KL-255
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1421936-85-7
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11739
Created by
admin on Fri Dec 15 15:51:50 GMT 2023 , Edited by admin on Fri Dec 15 15:51:50 GMT 2023
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
In human SK-N-MC cells.
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Tmax | PHARMACOKINETIC |
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MEASURMENT FLUID PHARMACOKINETIC PHARMACOKINETIC |
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CSF/PLASMA RATIO | PHARMACOKINETIC |
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Tmax | PHARMACOKINETIC |
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MEASUREMENT FLUID |
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