Molecule card · MolClass #47435
24813944
24813944: 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
- 24813944Mitochondrial Fusion · compound_name
- MolClass ID
- 47435
- InChIKey
- SNKOLDOQVAJLFS-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4oc1ccccc1c4(N=CN3(Cc2ccc(cc2)Cl))
- Standard InChI
- InChI=1S/C17H11ClN2O2/c18-12-7-5-11(6-8-12)9-20-10-19-15-13-3-1-2-4-14(13)22-16(15)17(20)21/h1-8,10H,9H2
- Stored Murcko scaffold
- N1=CN([CH]c2oc3ccccc3c12)Cc4ccccc4
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.
- 4244550#47484
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.735 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.455
- 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 · 24813944