Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H19ClFN7 |
Molecular Weight | 387.842 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCC(CC1)NC2=NC3=C(NC4=CC=C(F)C(Cl)=C4)N=CN=C3C=N2
InChI
InChIKey=FTFRZXFNZVCRSK-UHFFFAOYSA-N
InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)
Molecular Formula | C18H19ClFN7 |
Molecular Weight | 387.842 |
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
Fri Dec 15 16:17:42 UTC 2023
by
admin
on
Fri Dec 15 16:17:42 UTC 2023
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Record UNII |
0MU316797D
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C2167
Created by
admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
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NCI_THESAURUS |
C1967
Created by
admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
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Code System | Code | Type | Description | ||
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100000127711
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196612-93-8
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SUB33798
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0MU316797D
Created by
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7857
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DB12966
Created by
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6918508
Created by
admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
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C80868
Created by
admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
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CHEMBL258940
Created by
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DTXSID0048399
Created by
admin on Fri Dec 15 16:17:42 UTC 2023 , Edited by admin on Fri Dec 15 16:17:42 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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METABOLIC ENZYME -> SUBSTRATE |
Failed due to undetected hAOX-mediated oxidation.
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TARGET -> INHIBITOR |
Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Volume of Distribution | PHARMACOKINETIC |
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Biological Half-life | PHARMACOKINETIC |
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