Molecule card · MolClass #37237
7975441
7975441: 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
- 7975441Mitochondrial Fusion · compound_name
- MolClass ID
- 37237
- InChIKey
- MTFDIMFGKQZVDK-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC(c1ccco1)Sc4nc2ccccc2n34
- Standard InChI
- InChI=1S/C14H10N2O2S/c17-13-8-12(11-6-3-7-18-11)19-14-15-9-4-1-2-5-10(9)16(13)14/h1-7,12H,8H2
- Stored Murcko scaffold
- n1c2SC(c3occc3)C[CH]n2c4ccccc14
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.681
- 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 · 7975441