Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H16ClF6N5O |
Molecular Weight | 587.903 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
FC(F)(F)C1=CC(=CC(CN2N=NC(=C2C3=CC=NC=C3)C4=NC=CC=C4C(=O)C5=C(Cl)C=CC=C5)=C1)C(F)(F)F
InChI
InChIKey=CAVRKWRKTNINFF-UHFFFAOYSA-N
InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
Molecular Formula | C28H16ClF6N5O |
Molecular Weight | 587.903 |
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 16:47:31 UTC 2023
by
admin
on
Fri Dec 15 16:47:31 UTC 2023
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Record UNII |
NY0COC51FI
|
Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C78284
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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Code System | Code | Type | Description | ||
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300000021772
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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NY0COC51FI
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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CD-17
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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DTXSID801045805
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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Tradipitant
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admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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DB12580
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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9916461
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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CHEMBL3544984
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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C152707
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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9996
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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622370-35-8
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
ANTAGONIST
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Related Record | Type | Details | ||
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ACTIVE MOIETY |