Molecule card · MolClass #40225
14735296
14735296: 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
- 14735296Mitochondrial Fusion · compound_name
- MolClass ID
- 40225
- InChIKey
- KRPNMJXQNSRRPZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c4ccccc4(N=C1C=CC(=NN12)N3CCOCC3)
- Standard InChI
- InChI=1S/C15H14N4O2/c20-15-11-3-1-2-4-12(11)16-13-5-6-14(17-19(13)15)18-7-9-21-10-8-18/h1-6H,7-10H2
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N3N=C(C=CC13)N4CCOCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.675
- 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 · 14735296