Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H20FN5O2.C4H6O4 |
Molecular Weight | 475.4701 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC3=CC(F)=CC=C3C#N)C1=O
InChI
InChIKey=OGCNTTUPLQTBJI-XFULWGLBSA-N
InChI=1S/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H20FN5O2 |
Molecular Weight | 357.3821 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:30:42 UTC 2023
by
admin
on
Sat Dec 16 01:30:42 UTC 2023
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Record UNII |
4118932Z90
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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 |
C98086
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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Code System | Code | Type | Description | ||
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C152724
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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ZAFATEK
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | APPROVE MARCH 2015 | ||
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4118932Z90
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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YY-29
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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SUB179791
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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m11930
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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1029877-94-8
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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100000165897
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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DTXSID00145602
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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CHEMBL1650443
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 UTC 2023
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PRIMARY | |||
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44183569
Created by
admin on Sat Dec 16 01:30:42 UTC 2023 , Edited by admin on Sat Dec 16 01:30:42 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 |
Related Record | Type | Details | ||
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ACTIVE MOIETY |