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=C(NC[C@H]2CNCCO2)C=C(NC3=NC=C(N=C3)C#N)N=C1
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
Wed Apr 02 12:06:52 GMT 2025
by
admin
on
Wed Apr 02 12:06:52 GMT 2025
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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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72165232
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QB6LNL4NF6
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300000042434
Created by
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1489389-18-5
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C129580
Created by
admin on Wed Apr 02 12:06:52 GMT 2025 , Edited by admin on Wed Apr 02 12:06:52 GMT 2025
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| Related Record | Type | Details | ||
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ENANTIOMER -> ENANTIOMER |
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TARGET -> INHIBITOR |
IC50
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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