Details
Stereochemistry | ACHIRAL |
Molecular Formula | C25H27FN4O3.C4H4O4 |
Molecular Weight | 566.5774 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.COC1=C(OCCCN2CCCC2)C=C3N=CN=C(OC4=C(F)C5=C(NC(C)=C5)C=C4)C3=C1
InChI
InChIKey=JRMGHBVACUJCRP-BTJKTKAUSA-N
InChI=1S/C25H27FN4O3.C4H4O4/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30;5-3(6)1-2-4(7)8/h6-7,12-15,29H,3-5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C25H27FN4O3 |
Molecular Weight | 450.5053 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:43 UTC 2023
by
admin
on
Fri Dec 15 15:55:43 UTC 2023
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Record UNII |
68AYS9A614
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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 |
C1967
Created by
admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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NCI_THESAURUS |
C1742
Created by
admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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SUB176736
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CHEMBL491473
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DBSALT002394
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732208
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admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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C48379
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857036-77-2
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admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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11226834
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admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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100000162765
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TT-142
Created by
admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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68AYS9A614
Created by
admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |