Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C23H31ClN4O3S |
| Molecular Weight | 479.035 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCNC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC3=CC=C(Cl)C=C3)C1
InChI
InChIKey=PPUYOYQTTWJTIU-UHFFFAOYSA-N
InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1961783 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22460951 |
790.0 nM [IC50] | ||
Target ID: CHEMBL1961784 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22460951 |
560.0 nM [IC50] |
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VYI79FLZ6W
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SR9011
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1379686-29-9
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DB14014
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57394021
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DTXSID601045516
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admin on Tue Apr 01 16:54:38 GMT 2025 , Edited by admin on Tue Apr 01 16:54:38 GMT 2025
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SUBSTANCE RECORD