Molecule card · MolClass #52005
7970743
7970743: 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
- 7970743Mitochondrial Fusion · compound_name
- MolClass ID
- 52005
- InChIKey
- ANNOXMPVMJABQL-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Nc1cccc(c1)c3nc2cccnc2s3)c4ccc5OCCOc5(c4)
- Standard InChI
- InChI=1S/C20H15N3O4S2/c24-29(25,15-6-7-17-18(12-15)27-10-9-26-17)23-14-4-1-3-13(11-14)19-22-16-5-2-8-21-20(16)28-19/h1-8,11-12,23H,9-10H2
- Stored Murcko scaffold
- n1cccc2nc(sc12)-c3cccc(c3)NSc4ccc5OCCOc5c4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 127.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.386
- 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 · 7970743