Molecule card · MolClass #45187
24797020
24797020: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24797020Mitochondrial Fusion · compound_name
- MolClass ID
- 45187
- InChIKey
- UXJAYJISQIRZLU-UHFFFAOYSA-N
- Canonical SMILES
- CCc2c(C)sc(NC(=O)Cn1nc(C)c(c1(C))[N+](=O)[O-])c2(C(N)=O)
- Standard InChI
- InChI=1S/C15H19N5O4S/c1-5-10-9(4)25-15(12(10)14(16)22)17-11(21)6-19-8(3)13(20(23)24)7(2)18-19/h5-6H2,1-4H3,(H2,16,22)(H,17,21)
- Stored Murcko scaffold
- n1cccn1C[CH]Nc2sccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 161.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.128
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24797020