Molecule card · MolClass #36677
858634
858634: 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
- 858634Mitochondrial Fusion · compound_name
- MolClass ID
- 36677
- InChIKey
- RUTRAHBESVIVOH-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)CSC3=NN2C(=O)C(=NN=C2S3)C(C)(C)C
- Standard InChI
- InChI=1S/C17H18N4O3S2/c1-17(2,3)13-14(23)21-15(19-18-13)26-16(20-21)25-9-12(22)10-5-7-11(24-4)8-6-10/h5-8H,9H2,1-4H3
- Stored Murcko scaffold
- N=1N=C2SC(=NN2[CH]C1)SC[CH]c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 134.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.483 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.457
- 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 · 858634