Molecule card · MolClass #45795
7975045
7975045: 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
- 7975045Mitochondrial Fusion · compound_name
- MolClass ID
- 45795
- InChIKey
- NJQVZLUCZGQSOW-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(NCN2C(=O)C3C1C=CC(C1)C3(C2(=O)))
- Standard InChI
- InChI=1S/C17H18N2O2/c1-10-4-2-3-5-13(10)18-9-19-16(20)14-11-6-7-12(8-11)15(14)17(19)21/h2-7,11-12,14-15,18H,8-9H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)NCN2[CH]C3C4C=CC(C4)C3[CH]2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.96
- 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 · 7975045