Molecule card · MolClass #40435
24795133
24795133: 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
- 24795133Mitochondrial Fusion · compound_name
- MolClass ID
- 40435
- InChIKey
- ZQYFRCAZXFIESR-UHFFFAOYSA-N
- Canonical SMILES
- CCc1c(C)nc(N)nc1N2N=C2SCCOc3ccccc3
- Standard InChI
- InChI=1S/C16H19N5OS/c1-3-13-11(2)18-15(17)19-14(13)21-16(20-21)23-10-9-22-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,17,18,19)
- Stored Murcko scaffold
- n1cnc(cc1)N2N=C2SCCOc3ccccc3
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.
- 24797885#39513
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.427
- 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 · 24795133