Molecule card · MolClass #47184
17387724
17387724: 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
- 17387724Mitochondrial Fusion · compound_name
- MolClass ID
- 47184
- InChIKey
- ORIALTLIRBEUOL-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(Cn1cc(cn1)NC(=O)COc2ccccc2)
- Standard InChI
- InChI=1S/C19H19N3O2/c1-15-7-5-6-8-16(15)12-22-13-17(11-20-22)21-19(23)14-24-18-9-3-2-4-10-18/h2-11,13H,12,14H2,1H3,(H,21,23)
- Stored Murcko scaffold
- n1cc(cn1Cc2ccccc2)N[CH]COc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.722
- 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 · 17387724