Molecule card · MolClass #44281
7978228
7978228: 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
- 7978228Mitochondrial Fusion · compound_name
- MolClass ID
- 44281
- InChIKey
- PLHFTXHOILCZKR-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=O)Oc2cc3NCCOc3(cc12)
- Standard InChI
- InChI=1S/C12H11NO3/c1-7-4-12(14)16-10-6-9-11(5-8(7)10)15-3-2-13-9/h4-6,13H,2-3H2,1H3
- Stored Murcko scaffold
- O1[CH]C=Cc2cc3OCCNc3cc12
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.517
- 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 · 7978228