Molecule card · MolClass #40754
7967008
7967008: 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
- 7967008Mitochondrial Fusion · compound_name
- MolClass ID
- 40754
- InChIKey
- XLXJOOZEOJQFIM-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=O)CC(O1)C4(O)(C(=O)N(Cc2ccccc2)c3ccccc34))
- Standard InChI
- InChI=1S/C22H23NO4/c1-21(2)13-16(24)12-19(27-21)22(26)17-10-6-7-11-18(17)23(20(22)25)14-15-8-4-3-5-9-15/h3-11,19,26H,12-14H2,1-2H3
- Stored Murcko scaffold
- O1CC[CH]CC1C2[CH]N(c3ccccc32)Cc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.313
- 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 · 7967008