Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H28ClF2N9O3 |
| Molecular Weight | 612.03 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(CCC#N)C1CCN(CC1)C(=O)CN2C=C(NC(=O)C3=C4N=CC=CN4N=C3)C(=N2)C5=CC(Cl)=CC=C5OC(F)F
InChI
InChIKey=ITNFPSJJBYFVEA-UHFFFAOYSA-N
InChI=1S/C28H28ClF2N9O3/c1-37(10-2-8-32)19-6-12-38(13-7-19)24(41)17-39-16-22(35-27(42)21-15-34-40-11-3-9-33-26(21)40)25(36-39)20-14-18(29)4-5-23(20)43-28(30)31/h3-5,9,11,14-16,19,28H,2,6-7,10,12-13,17H2,1H3,(H,35,42)
| Molecular Formula | C28H28ClF2N9O3 |
| Molecular Weight | 612.03 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:34:00 GMT 2025
by
admin
on
Wed Apr 02 19:34:00 GMT 2025
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| Record UNII |
V5QX2RCH3C
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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V5QX2RCH3C
Created by
admin on Wed Apr 02 19:34:00 GMT 2025 , Edited by admin on Wed Apr 02 19:34:00 GMT 2025
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118522534
Created by
admin on Wed Apr 02 19:34:00 GMT 2025 , Edited by admin on Wed Apr 02 19:34:00 GMT 2025
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1831144-46-7
Created by
admin on Wed Apr 02 19:34:00 GMT 2025 , Edited by admin on Wed Apr 02 19:34:00 GMT 2025
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PRIMARY |
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Calculated IC50 (nM) at 1 mM ATP
COMPETITIVE INHIBITOR
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TARGET -> INHIBITOR |
Calculated IC50 (nM) at 1 mM ATP
COMPETITIVE INHIBITOR
IC50
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TARGET -> INHIBITOR |
Determined at ATP Km
COMPETITIVE INHIBITOR
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TARGET -> INHIBITOR |
Determined at ATP Km
COMPETITIVE INHIBITOR
Ki
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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ACTIVE MOIETY |
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