Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C25H30F2N4O5S |
| Molecular Weight | 536.591 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC[C@@H](NC(=O)C1CCCC(F)(F)C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)C(=O)NCC3=NC=CS3
InChI
InChIKey=IGYBDBUREWZAAX-OMKBGSMGSA-N
InChI=1S/C25H30F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17?,18-,19-/m1/s1
| Molecular Formula | C25H30F2N4O5S |
| Molecular Weight | 536.591 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:37:55 GMT 2025
by
admin
on
Wed Apr 02 17:37:55 GMT 2025
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| Record UNII |
R4QFU2UR3K
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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R4QFU2UR3K
Created by
admin on Wed Apr 02 17:37:55 GMT 2025 , Edited by admin on Wed Apr 02 17:37:55 GMT 2025
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167312484
Created by
admin on Wed Apr 02 17:37:55 GMT 2025 , Edited by admin on Wed Apr 02 17:37:55 GMT 2025
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TRANSPORTER -> SUBSTRATE |
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TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
IC50
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OFF TARGET->NON-INHIBITOR |
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TARGET ORGANISM->INHIBITOR |
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET ORGANISM->INHIBITOR |
EC50
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TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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