Molecule card · MolClass #45314
22402675
22402675: 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
- 22402675Mitochondrial Fusion · compound_name
- MolClass ID
- 45314
- InChIKey
- HYQJBUKTHYEYOG-QXMHVHEDSA-N
- Canonical SMILES
- CCCCN2C(=O)C(=CNc1cccnc1Cl)C(=O)N(CC=C)C2(=O)
- Standard InChI
- InChI=1S/C17H19ClN4O3/c1-3-5-10-22-16(24)12(15(23)21(9-4-2)17(22)25)11-20-13-7-6-8-19-14(13)18/h4,6-8,11,20H,2-3,5,9-10H2,1H3/b12-11-
- Stored Murcko scaffold
- [N]1[CH][N][CH]C([CH]1)=CNc2cnccc2
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
- 7
- 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
- 82.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.811 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.984
- 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 · 22402675