Molecule card · MolClass #43975
847134
847134: 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
- 847134Mitochondrial Fusion · compound_name
- MolClass ID
- 43975
- InChIKey
- OFWNQLYBPDRVNG-UHFFFAOYSA-N
- Canonical SMILES
- N#CCCn3c4ccccc4(nc3(c2nonc2(NC(=O)c1ccccc1Cl)))
- Standard InChI
- InChI=1S/C19H13ClN6O2/c20-13-7-2-1-6-12(13)19(27)23-17-16(24-28-25-17)18-22-14-8-3-4-9-15(14)26(18)11-5-10-21/h1-4,6-9H,5,11H2,(H,23,25,27)
- Stored Murcko scaffold
- n1onc(c1N[CH]c2ccccc2)-c3nc4ccccc4[nH]3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.799 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.043
- 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 · 847134