Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H14F2N6O.C7H8O3S |
Molecular Weight | 552.552 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN2N=CN=C2[C@@H]3[C@H](NC4=CC(F)=CC5=C4C3=NNC5=O)C6=CC=C(F)C=C6
InChI
InChIKey=QUQKKHBYEFLEHK-QNBGGDODSA-N
InChI=1S/C19H14F2N6O.C7H8O3S/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,15-16,24H,1H3,(H,26,28);2-5H,1H3,(H,8,9,10)/t15-,16-;/m1./s1
Molecular Formula | C19H14F2N6O |
Molecular Weight | 380.3509 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C7H8O3S |
Molecular Weight | 172.202 |
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
Sat Dec 16 07:53:47 UTC 2023
by
admin
on
Sat Dec 16 07:53:47 UTC 2023
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Record UNII |
02WK9U5NZC
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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 |
C62554
Created by
admin on Sat Dec 16 07:53:47 UTC 2023 , Edited by admin on Sat Dec 16 07:53:47 UTC 2023
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2099703
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DTXSID301026468
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C152494
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02WK9U5NZC
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BC-64
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DBSALT002816
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m12100
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admin on Sat Dec 16 07:53:47 UTC 2023 , Edited by admin on Sat Dec 16 07:53:47 UTC 2023
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1373431-65-2
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admin on Sat Dec 16 07:53:47 UTC 2023 , Edited by admin on Sat Dec 16 07:53:47 UTC 2023
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300000011235
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admin on Sat Dec 16 07:53:47 UTC 2023 , Edited by admin on Sat Dec 16 07:53:47 UTC 2023
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135565654
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5300
Created by
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CHEMBL3137320
Created by
admin on Sat Dec 16 07:53:47 UTC 2023 , Edited by admin on Sat Dec 16 07:53:47 UTC 2023
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02WK9U5NZC
Created by
admin on Sat Dec 16 07:53:47 UTC 2023 , Edited by admin on Sat Dec 16 07:53:47 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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