Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H20F2N8O2S |
| Molecular Weight | 498.508 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CN=C(C=N1)C(=O)NC2=CC(=C(F)C=C2)[C@]34CN(C[C@H]3CSC(N)=N4)C5=NC=C(F)C=N5
InChI
InChIKey=VQSRKMNBWMHJKY-YTEVENLXSA-N
InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1
| Molecular Formula | C22H20F2N8O2S |
| Molecular Weight | 498.508 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:39:25 GMT 2025
by
admin
on
Mon Mar 31 23:39:25 GMT 2025
|
| Record UNII |
1L8QUK35RX
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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1L8QUK35RX
Created by
admin on Mon Mar 31 23:39:25 GMT 2025 , Edited by admin on Mon Mar 31 23:39:25 GMT 2025
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1628690-73-2
Created by
admin on Mon Mar 31 23:39:25 GMT 2025 , Edited by admin on Mon Mar 31 23:39:25 GMT 2025
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78210254
Created by
admin on Mon Mar 31 23:39:25 GMT 2025 , Edited by admin on Mon Mar 31 23:39:25 GMT 2025
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EXCRETED UNCHANGED |
FECAL
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EXCRETED UNCHANGED |
URINE
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METABOLITE -> PARENT |
URINE
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
URINE
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METABOLITE -> PARENT |
URINE
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PARENT -> METABOLITE |
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METABOLITE -> PARENT |
FECAL
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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 |
|---|---|---|---|---|---|---|
| Tmax | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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| Biological Half-life | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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