Molecule card · MolClass #40172
7977647
7977647: 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
- 7977647Mitochondrial Fusion · compound_name
- MolClass ID
- 40172
- InChIKey
- QGAFLKLNVGYKBZ-UHFFFAOYSA-N
- Canonical SMILES
- CC14(CN3CC(C)(CN(C1)P3(=O)(Oc2ccccc2))C4(=O))
- Standard InChI
- InChI=1S/C15H19N2O3P/c1-14-8-16-10-15(2,13(14)18)11-17(9-14)21(16,19)20-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
- Stored Murcko scaffold
- O(c1ccccc1)P2N3CC4[CH]C(C3)CN2C4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.46
- 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 · 7977647