Molecule card · MolClass #51693
14731202
14731202: 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
- 14731202Mitochondrial Fusion · compound_name
- MolClass ID
- 51693
- InChIKey
- ACTMDNIAXPEGIL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(c2ccc(C)cc2)=C5C3C=CC5(C4C(=O)NC(=O)C34)
- Standard InChI
- InChI=1S/C24H21NO2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)20-17-11-12-18(20)22-21(17)23(26)25-24(22)27/h3-12,17-18,21-22H,1-2H3,(H,25,26,27)
- Stored Murcko scaffold
- c1ccc(cc1)C(c2ccccc2)=C3C4C=CC3C5[CH]N[CH]C45
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.237
- 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 · 14731202