Molecule card · MolClass #40624
7978062
7978062: 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
- 7978062Mitochondrial Fusion · compound_name
- MolClass ID
- 40624
- InChIKey
- WFTBGSSAHGXLJD-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1ccccc1N5C(=O)c2ccccc2C5(N4(Cc3ccco3))
- Standard InChI
- InChI=1S/C20H14N2O3/c23-19-16-9-3-4-10-17(16)22-18(21(19)12-13-6-5-11-25-13)14-7-1-2-8-15(14)20(22)24/h1-11,18H,12H2
- Stored Murcko scaffold
- o1cccc1CN2[CH]c3ccccc3N4[CH]c5ccccc5C42
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
- 53.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.807
- 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 · 7978062