Molecule card · MolClass #46855
14740940
14740940: 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
- 14740940Mitochondrial Fusion · compound_name
- MolClass ID
- 46855
- InChIKey
- XSQFNYWMOPXMRG-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)NC(c1ccccc1)C=3C(=O)N(CCc2ccccc2)CC=34
- Standard InChI
- InChI=1S/C21H21N3O2/c1-23-17-14-24(13-12-15-8-4-2-5-9-15)20(25)18(17)19(22-21(23)26)16-10-6-3-7-11-16/h2-11,19H,12-14H2,1H3,(H,22,26)
- Stored Murcko scaffold
- [N]1[CH]NC(c2ccccc2)C=3[CH]N(CC13)CCc4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.033
- 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 · 14740940