Molecule card · MolClass #38937
24816223
24816223: 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
- 24816223Mitochondrial Fusion · compound_name
- MolClass ID
- 38937
- InChIKey
- NKNVFNKZAOFFFL-UHFFFAOYSA-N
- Canonical SMILES
- c4ccc(CSc2nnc1ccc(nn12)c3ccncc3)nc4
- Standard InChI
- InChI=1S/C16H12N6S/c1-2-8-18-13(3-1)11-23-16-20-19-15-5-4-14(21-22(15)16)12-6-9-17-10-7-12/h1-10H,11H2
- Stored Murcko scaffold
- n1nc2ccc(nn2c1SCc3ncccc3)-c4ccncc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.756
- 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 · 24816223