Molecule card · MolClass #39258
4255236
4255236: 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
- 4255236Mitochondrial Fusion · compound_name
- MolClass ID
- 39258
- InChIKey
- RPFFYWMEJGBBDE-UHFFFAOYSA-N
- Canonical SMILES
- NC=3C(=O)Oc1ccccc1C=3(NCc2ccccc2)
- Standard InChI
- InChI=1S/C16H14N2O2/c17-14-15(18-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)20-16(14)19/h1-9,18H,10,17H2
- Stored Murcko scaffold
- O1[CH]C=C(NCc2ccccc2)c3ccccc13
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.
- 24792029#45157
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 64.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.392
- 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 · 4255236