Molecule card · MolClass #40494
7966779
7966779: 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
- 7966779Mitochondrial Fusion · compound_name
- MolClass ID
- 40494
- InChIKey
- QAVULAMJNLYBAI-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)c3cc2C(=O)N(C)c1ccccc1c2n3(C)
- Standard InChI
- InChI=1S/C17H19N3O3/c1-19-14(16(21)18-8-9-23-3)10-12-15(19)11-6-4-5-7-13(11)20(2)17(12)22/h4-7,10H,8-9H2,1-3H3,(H,18,21)
- Stored Murcko scaffold
- n1cc2cc[nH]c2c3ccccc13
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
- 5
- 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
- 63.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.472
- 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 · 7966779