Molecule card · MolClass #45200
7969833
7969833: 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
- 7969833Mitochondrial Fusion · compound_name
- MolClass ID
- 45200
- InChIKey
- ACNJDBJKUXBUNY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc4n(n1)c(O)c(C(c2cccs2)N3CCC(CC3)C(N)=O)s4
- Standard InChI
- InChI=1S/C16H19N5O2S2/c1-9-18-16-21(19-9)15(23)13(25-16)12(11-3-2-8-24-11)20-6-4-10(5-7-20)14(17)22/h2-3,8,10,12,23H,4-7H2,1H3,(H2,17,22)
- Stored Murcko scaffold
- n1cnn2cc(sc12)C(c3sccc3)N4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 153.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.487 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.3
- 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 · 7969833