Molecule card · MolClass #37792
17509934
17509934: 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
- 17509934Mitochondrial Fusion · compound_name
- MolClass ID
- 37792
- InChIKey
- UIVUMAMQHABMLO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c1CCCCc1sc2N4C(=O)Nc3ccccc3N4(O)
- Standard InChI
- InChI=1S/C18H19N3O4S/c1-2-25-17(22)15-11-7-3-6-10-14(11)26-16(15)20-18(23)19-12-8-4-5-9-13(12)21(20)24/h4-5,8-9,24H,2-3,6-7,10H2,1H3,(H,19,23)
- Stored Murcko scaffold
- s1c(cc2c1CCCC2)N3[CH]Nc4ccccc4N3
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.
- 24811963#36591
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 110.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.428 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.751
- 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 · 17509934