Molecule card · MolClass #41523
7966449
7966449: 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
- 7966449Mitochondrial Fusion · compound_name
- MolClass ID
- 41523
- InChIKey
- LEMVBQTYDWNOQX-UHFFFAOYSA-N
- Canonical SMILES
- COCCCNC(=O)c3cc2C(=O)N(C)c1ccccc1c2n3(C)
- Standard InChI
- InChI=1S/C18H21N3O3/c1-20-15(17(22)19-9-6-10-24-3)11-13-16(20)12-7-4-5-8-14(12)21(2)18(13)23/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22)
- 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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.83
- 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 · 7966449