Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H24ClF4N7O2 |
Molecular Weight | 529.9191 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C1C[C@]([H])(C(=O)N(C1)[C@@]2([H])CN(CC[C@]2([H])C(=N)O)c3c(c(N)ncn3)F)Nc4cc(cc(c4)Cl)C(F)(F)F
InChI
InChIKey=QLRRJMOBVVGXEJ-XHSDSOJGSA-N
InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1
Molecular Formula | C22H24ClF4N7O2 |
Molecular Weight | 529.9191 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 04:55:30 UTC 2021
by
admin
on
Sat Jun 26 04:55:30 UTC 2021
|
Record UNII |
PQ7O0OB5GU
|
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 |
C124801
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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NCI_THESAURUS |
C129825
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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Code System | Code | Type | Description | ||
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1510829-06-7
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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10643
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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C136416
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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PRIMARY | |||
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PQ7O0OB5GU
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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72547837
Created by
admin on Sat Jun 26 04:55:30 UTC 2021 , Edited by admin on Sat Jun 26 04:55:30 UTC 2021
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PRIMARY |
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SALT/SOLVATE -> PARENT | |||
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METABOLIC ENZYME -> SUBSTRATE |
AMOUNT ADMINISTERED
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METABOLIC ENZYME -> INHIBITOR |
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |