Molecule card · MolClass #40951
7978337
7978337: 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
- 7978337Mitochondrial Fusion · compound_name
- MolClass ID
- 40951
- InChIKey
- ZSPWZZSZBBJHHZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=C(NCc1ccco1)c3ccccc3(O2)
- Standard InChI
- InChI=1S/C14H11NO3/c16-14-8-12(15-9-10-4-3-7-17-10)11-5-1-2-6-13(11)18-14/h1-8,15H,9H2
- Stored Murcko scaffold
- O1[CH]C=C(NCc2occc2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 51.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.243 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.152
- 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 · 7978337