Molecule card · MolClass #49522
24796175
24796175: 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
- 24796175Mitochondrial Fusion · compound_name
- MolClass ID
- 49522
- InChIKey
- QXDHZSDBHOMNNW-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)c2ccccc2(NC(NC(=O)C(C)(C)C)=S)
- Standard InChI
- InChI=1S/C18H27N3OS/c1-13-9-11-21(12-10-13)15-8-6-5-7-14(15)19-17(23)20-16(22)18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H2,19,20,22,23)
- Stored Murcko scaffold
- c1ccc(cc1)N2CCCCC2
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.
- 22412284#49935
- 17413602#50959
- FC(F)(F)c1ccc(N2CCCCC2)c(NC=C(C#N)C#N)c1#154179
- NC(=O)c1ccccc1N1CCCCC1#154215
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.493 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.176
- 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 · 24796175