Molecule card · MolClass #48550
7975598
7975598: 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
- 7975598Mitochondrial Fusion · compound_name
- MolClass ID
- 48550
- InChIKey
- NRWFPAUHGLPWBR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cc2cc(c1ccco1)c(C#N)c(N)n2
- Standard InChI
- InChI=1S/C14H15N3O/c1-9(2)6-10-7-11(13-4-3-5-18-13)12(8-15)14(16)17-10/h3-5,7,9H,6H2,1-2H3,(H2,16,17)
- Stored Murcko scaffold
- n1ccc(cc1)-c2occc2
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
- 3
- 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
- 75.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.689
- 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 · 7975598