Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H22ClF3N6O3 |
| Molecular Weight | 546.929 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NN(C=C1)C2=C(C=CC(Cl)=C2)[C@@H](OC3=NC(N)=NC(=C3)C4=CC=C(C[C@H](N)C(O)=O)C=C4)C(F)(F)F
InChI
InChIKey=NCLGDOBQAWBXRA-PGRDOPGGSA-N
InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1
| Molecular Formula | C25H22ClF3N6O3 |
| Molecular Weight | 546.929 |
| 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
Fri Dec 15 19:17:54 UTC 2023
by
admin
on
Fri Dec 15 19:17:54 UTC 2023
|
| Record UNII |
381V4FCV2Z
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C471
Created by
admin on Fri Dec 15 19:17:54 UTC 2023 , Edited by admin on Fri Dec 15 19:17:54 UTC 2023
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NDF-RT |
N0000193303
Created by
admin on Fri Dec 15 19:17:54 UTC 2023 , Edited by admin on Fri Dec 15 19:17:54 UTC 2023
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WHO-ATC |
A16AX15
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admin on Fri Dec 15 19:17:54 UTC 2023 , Edited by admin on Fri Dec 15 19:17:54 UTC 2023
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NCI_THESAURUS |
C266
Created by
admin on Fri Dec 15 19:17:54 UTC 2023 , Edited by admin on Fri Dec 15 19:17:54 UTC 2023
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| Code System | Code | Type | Description | ||
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25025298
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381V4FCV2Z
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1033805-28-5
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C152549
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381V4FCV2Z
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WW-145
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CHEMBL2103855
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m12016
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100000170316
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DB14218
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SUB184213
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9324
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DTXSID60145805
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1872382
Created by
admin on Fri Dec 15 19:17:54 UTC 2023 , Edited by admin on Fri Dec 15 19:17:54 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
