Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H16F3N7O |
Molecular Weight | 379.3397 |
Optical Activity | ( + ) |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
FC(F)(F)C1=CN=C(NC2=CN=C(C=N2)C#N)C=C1NC[C@H]3CNCCO3
InChI
InChIKey=YBYYWUUUGCNAHQ-LLVKDONJSA-N
InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1
Molecular Formula | C16H16F3N7O |
Molecular Weight | 379.3397 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4630 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27167172 |
1.3 nM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:43:44 GMT 2023
by
admin
on
Sat Dec 16 18:43:44 GMT 2023
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Record UNII |
QB6LNL4NF6
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Record Status |
Validated (UNII)
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Record Version |
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-
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72165232
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QB6LNL4NF6
Created by
admin on Sat Dec 16 18:43:44 GMT 2023 , Edited by admin on Sat Dec 16 18:43:44 GMT 2023
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300000042434
Created by
admin on Sat Dec 16 18:43:44 GMT 2023 , Edited by admin on Sat Dec 16 18:43:44 GMT 2023
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1489389-18-5
Created by
admin on Sat Dec 16 18:43:44 GMT 2023 , Edited by admin on Sat Dec 16 18:43:44 GMT 2023
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C129580
Created by
admin on Sat Dec 16 18:43:44 GMT 2023 , Edited by admin on Sat Dec 16 18:43:44 GMT 2023
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Related Record | Type | Details | ||
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ENANTIOMER -> ENANTIOMER |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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