Molecule card · MolClass #36180
24785364
24785364: 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
- 24785364Mitochondrial Fusion · compound_name
- MolClass ID
- 36180
- InChIKey
- IZDLYSSIMJSFRF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)C(=O)CCCn2cc(cn2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H15N5O3/c1-9-6-10(2)16(14-9)12(18)4-3-5-15-8-11(7-13-15)17(19)20/h6-8H,3-5H2,1-2H3
- Stored Murcko scaffold
- n1cccn1[CH]CCCn2nccc2
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.
- 24781010#36414
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.568
- 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 · 24785364