Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H25F3N4O3 |
| Molecular Weight | 462.4648 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O[C@H]2CCOC2)C=C3C(N[C@H](C)C4=CC(=CC(N)=C4)C(F)(F)F)=NC(C)=NC3=C1
InChI
InChIKey=XVFDNRYZXDHTHT-PXAZEXFGSA-N
InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1
| Molecular Formula | C23H25F3N4O3 |
| Molecular Weight | 462.4648 |
| 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
Wed Apr 02 19:42:18 GMT 2025
by
admin
on
Wed Apr 02 19:42:18 GMT 2025
|
| Record UNII |
P49LSH4TMF
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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138911318
Created by
admin on Wed Apr 02 19:42:18 GMT 2025 , Edited by admin on Wed Apr 02 19:42:18 GMT 2025
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2230836-55-0
Created by
admin on Wed Apr 02 19:42:18 GMT 2025 , Edited by admin on Wed Apr 02 19:42:18 GMT 2025
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PRIMARY | |||
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P49LSH4TMF
Created by
admin on Wed Apr 02 19:42:18 GMT 2025 , Edited by admin on Wed Apr 02 19:42:18 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Maintaining KRAS in the GDP-bound off state, may act as an effective combination partner with a covalent GDP-KRAS binding KRASG12Ci,
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