Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H26ClF4N7O2 |
| Molecular Weight | 640.03 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, M |
SHOW SMILES / InChI
SMILES
CC(C)C1=C(N2C(=O)C(C#N)=C(N3CCN(CC3)C(=O)C=C)C4=CC(Cl)=C(N=C24)C5=C(F)C(F)=C(F)C(F)=C5N)C(C)=CC=N1
InChI
InChIKey=QRRJEUIQLZNPIO-UHFFFAOYSA-N
InChI=1S/C31H26ClF4N7O2/c1-5-19(44)41-8-10-42(11-9-41)29-16-12-18(32)27(20-21(33)22(34)23(35)24(36)25(20)38)40-30(16)43(31(45)17(29)13-37)28-15(4)6-7-39-26(28)14(2)3/h5-7,12,14H,1,8-11,38H2,2-4H3
| Molecular Formula | C31H26ClF4N7O2 |
| Molecular Weight | 640.03 |
| 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
Sat Dec 16 18:38:01 UTC 2023
by
admin
on
Sat Dec 16 18:38:01 UTC 2023
|
| Record UNII |
UP75WH4QKM
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Official Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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UP75WH4QKM
Created by
admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023
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PRIMARY | |||
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12648
Created by
admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023
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157827766
Created by
admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023
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2657613-87-9
Created by
admin on Sat Dec 16 18:38:01 UTC 2023 , Edited by admin on Sat Dec 16 18:38:01 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
Pre-clinical
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
JAB-21822 is a potent covalent inhibitor of KRAS G12C, which can lock KRAS G12C in an inactive GDP-bound state
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