Molecule card · MolClass #38188
3714029
3714029: 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
- 3714029Mitochondrial Fusion · compound_name
- MolClass ID
- 38188
- InChIKey
- CLIFAHZNOJWFSV-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(N=NN3(CSc2nnc1ccccn12))
- Standard InChI
- InChI=1S/C14H10N6OS/c21-13-10-5-1-2-6-11(10)15-18-20(13)9-22-14-17-16-12-7-3-4-8-19(12)14/h1-8H,9H2
- Stored Murcko scaffold
- n1nc2ccccn2c1SCN3N=Nc4ccccc4[CH]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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.75
- 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 · 3714029