Molecule card · MolClass #49343
24811779
24811779: 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
- 24811779Mitochondrial Fusion · compound_name
- MolClass ID
- 49343
- InChIKey
- QXULVLRGWITVIC-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C(NC1CCCCC1)=C(C(=O)N3(Cc2ccccc2))Cl
- Standard InChI
- InChI=1S/C17H19ClN2O2/c18-14-15(19-13-9-5-2-6-10-13)17(22)20(16(14)21)11-12-7-3-1-4-8-12/h1,3-4,7-8,13,19H,2,5-6,9-11H2
- Stored Murcko scaffold
- c1ccc(cc1)Cn2ccc(c2)NC3CCCCC3
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
- 4
- 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
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.799 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.981
- 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 · 24811779