Molecule card · MolClass #42369
7972191
7972191: 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
- 7972191Mitochondrial Fusion · compound_name
- MolClass ID
- 42369
- InChIKey
- OTKNKZQGVVEVLP-UHFFFAOYSA-N
- Canonical SMILES
- CC(O)c2oc3ccc1C(C)=CC(=O)Oc1c3(c2(C))
- Standard InChI
- InChI=1S/C15H14O4/c1-7-6-12(17)19-15-10(7)4-5-11-13(15)8(2)14(18-11)9(3)16/h4-6,9,16H,1-3H3
- Stored Murcko scaffold
- o1ccc2c1ccc3C=C[CH]Oc32
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.
- SPHONDIN#2193
- PIMPINELLIN#2211
- ISOBERGAPTENE#2330
- 523-50-2#4156
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.115
- 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 · 7972191