Molecule card · MolClass #48917
24837641
24837641: 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
- 24837641Mitochondrial Fusion · compound_name
- MolClass ID
- 48917
- InChIKey
- NJMSTNJRQFSDPW-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=CC(=O)N1c3ccc(cc3(C(=O)c2ccccc2))Cl
- Standard InChI
- InChI=1S/C17H10ClNO3/c18-12-6-7-14(19-15(20)8-9-16(19)21)13(10-12)17(22)11-4-2-1-3-5-11/h1-10H
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2ccccc2-n3cccc3
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.
- S 03980#53645
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.72 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.208
- 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 · 24837641