Molecule card · MolClass #42573
22403362
22403362: 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
- 22403362Mitochondrial Fusion · compound_name
- MolClass ID
- 42573
- InChIKey
- DZOKGMPKKZAOMT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN(C(=O)C1CC1)c3nc2ccccc2s3)C4CC4
- Standard InChI
- InChI=1S/C15H15N3O2S/c19-13(9-5-6-9)17-18(14(20)10-7-8-10)15-16-11-3-1-2-4-12(11)21-15/h1-4,9-10H,5-8H2,(H,17,19)
- Stored Murcko scaffold
- n1c(sc2ccccc12)N([CH]C3CC3)N[CH]C4CC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.369
- 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 · 22403362