Molecule card · MolClass #47143
17416221
17416221: 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
- 17416221Mitochondrial Fusion · compound_name
- MolClass ID
- 47143
- InChIKey
- QRWKKKIMSNLZRZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC(NNc2nc1ccccc1s2)C(=O)N3c4ccccc4
- Standard InChI
- InChI=1S/C17H14N4O2S/c22-15-10-13(16(23)21(15)11-6-2-1-3-7-11)19-20-17-18-12-8-4-5-9-14(12)24-17/h1-9,13,19H,10H2,(H,18,20)
- Stored Murcko scaffold
- n1c(sc2ccccc12)NNC3[CH]N([CH]C3)c4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.961
- 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 · 17416221