Molecule card · MolClass #36835
17408328
17408328: 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
- 17408328Mitochondrial Fusion · compound_name
- MolClass ID
- 36835
- InChIKey
- DVOZOHPFZNCFDJ-UHFFFAOYSA-N
- Canonical SMILES
- N#CC=3C(=O)NC(c1cccs1)N(c2ccccc2)C=3S
- Standard InChI
- InChI=1S/C15H11N3OS2/c16-9-11-14(19)17-13(12-7-4-8-21-12)18(15(11)20)10-5-2-1-3-6-10/h1-8,13,20H,(H,17,19)
- Stored Murcko scaffold
- s1cccc1C2N[CH]C=CN2c3ccccc3
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.
- 17386637#37365
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.797
- 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 · 17408328