Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H26Cl2N4O2 |
| Molecular Weight | 437.363 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1OCC2(CCN(CC2)C3=C(CO)N=C(C(C)=N3)C4=CC=CC(Cl)=C4Cl)[C@@H]1N
InChI
InChIKey=IKUYEYLZXGGCRD-ORAYPTAESA-N
InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1
| Molecular Formula | C21H26Cl2N4O2 |
| Molecular Weight | 437.363 |
| 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
Sat Dec 16 14:51:17 GMT 2023
by
admin
on
Sat Dec 16 14:51:17 GMT 2023
|
| Record UNII |
2Q6NVG4EXB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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134183206
Created by
admin on Sat Dec 16 14:51:17 GMT 2023 , Edited by admin on Sat Dec 16 14:51:17 GMT 2023
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PRIMARY | |||
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2Q6NVG4EXB
Created by
admin on Sat Dec 16 14:51:17 GMT 2023 , Edited by admin on Sat Dec 16 14:51:17 GMT 2023
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2172651-73-7
Created by
admin on Sat Dec 16 14:51:17 GMT 2023 , Edited by admin on Sat Dec 16 14:51:17 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
Greatly reduced effect in the SHP2 E76K or T253M/Q257L mutants.
ALLOSTERIC
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
