Details
Stereochemistry | ACHIRAL |
Molecular Formula | C25H19NO3S |
Molecular Weight | 413.488 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C1C=C(OC2=C(C=CC=C12)C3=C4SC5=CC=CC=C5C4=CC=C3)N6CCOCC6
InChI
InChIKey=JAMULYFATHSZJM-UHFFFAOYSA-N
InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
Molecular Formula | C25H19NO3S |
Molecular Weight | 413.488 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P78527|||Q9UME3 Gene ID: 5591.0 Gene Symbol: PRKDC Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15546735 |
14.0 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:05:38 GMT 2023
by
admin
on
Sat Dec 16 19:05:38 GMT 2023
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Record UNII |
XF6ZJD5WGU
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Record Status |
Validated (UNII)
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Record Version |
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XF6ZJD5WGU
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admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023
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Related Record | Type | Details | ||
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ACTIVE MOIETY |