Molecule card · MolClass #37010
17401776
17401776: 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
- 17401776Mitochondrial Fusion · compound_name
- MolClass ID
- 37010
- InChIKey
- OLQKQPQGSXQCAO-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c2c4C(=O)N(C)C(=O)N(C)c4(cn2N3CCOCC3)
- Standard InChI
- InChI=1S/C19H22N4O4/c1-20-15-12-23(22-8-10-27-11-9-22)17(13-4-6-14(26-3)7-5-13)16(15)18(24)21(2)19(20)25/h4-7,12H,8-11H2,1-3H3
- Stored Murcko scaffold
- n1cnc2cn(c(-c3ccccc3)c2c1)N4CCOCC4
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.
- 863632#28639
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 67.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.574
- 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 · 17401776