Molecule card · MolClass #45088
14732195
14732195: 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
- 14732195Mitochondrial Fusion · compound_name
- MolClass ID
- 45088
- InChIKey
- SDSOMZDHRWCFFP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C3C(=O)N(CC(=O)N3(C2CCCC2))C4CCC(C)CC4
- Standard InChI
- InChI=1S/C23H32N2O2/c1-16-7-11-18(12-8-16)22-23(27)24(19-13-9-17(2)10-14-19)15-21(26)25(22)20-5-3-4-6-20/h7-8,11-12,17,19-20,22H,3-6,9-10,13-15H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)C2[CH]N(C[CH]N2C3CCCC3)C4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.513 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.235
- 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 · 14732195