Molecule card · MolClass #40893
17386991
17386991: 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
- 17386991Mitochondrial Fusion · compound_name
- MolClass ID
- 40893
- InChIKey
- OTSFNRKLYUCFOU-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3cc2c(cc1ccccn1c2c3(C(=O)OC))c4ccccc4
- Standard InChI
- InChI=1S/C22H17NO4/c1-26-21(24)18-13-17-16(14-8-4-3-5-9-14)12-15-10-6-7-11-23(15)20(17)19(18)22(25)27-2/h3-13H,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccn3c-4cccc24
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.392
- 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 · 17386991