Molecule card · MolClass #52009
7970579
7970579: 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
- 7970579Mitochondrial Fusion · compound_name
- MolClass ID
- 52009
- InChIKey
- LVPYDRTWNQFETJ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c3nnc(NC(=O)c2ccccc2(C))o3
- Standard InChI
- InChI=1S/C17H15N3O3/c1-11-5-3-4-6-14(11)15(21)18-17-20-19-16(23-17)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,18,20,21)
- Stored Murcko scaffold
- n1nc(oc1N[CH]c2ccccc2)-c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.707
- 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 · 7970579