Molecule card · MolClass #38438
7973096
7973096: 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
- 7973096Mitochondrial Fusion · compound_name
- MolClass ID
- 38438
- InChIKey
- KNHDMPKNOKJANK-UHFFFAOYSA-N
- Canonical SMILES
- CC15(CN4CC(C)(CN(C1)C4(c2ccc3ccccc3(c2(O))))C5(=O))
- Standard InChI
- InChI=1S/C20H22N2O2/c1-19-9-21-11-20(2,18(19)24)12-22(10-19)17(21)15-8-7-13-5-3-4-6-14(13)16(15)23/h3-8,17,23H,9-12H2,1-2H3
- Stored Murcko scaffold
- c1ccc2cc(ccc2c1)C3N4CC5[CH]C(C4)CN3C5
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
- 4
- 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
- 43.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.873
- 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 · 7973096