Molecule card · MolClass #38284
24830238
24830238: 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
- 24830238Mitochondrial Fusion · compound_name
- MolClass ID
- 38284
- InChIKey
- OJMJAMNWEAHDBV-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)nc(NNC1=CC(=O)CC(C)(C)C1)n2
- Standard InChI
- InChI=1S/C14H20N4O/c1-9-5-10(2)16-13(15-9)18-17-11-6-12(19)8-14(3,4)7-11/h5-6,17H,7-8H2,1-4H3,(H,15,16,18)
- Stored Murcko scaffold
- n1cccnc1NNC2=C[CH]CCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.46
- 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 · 24830238