Molecule card · MolClass #36563
7965671
7965671: 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
- 7965671Mitochondrial Fusion · compound_name
- MolClass ID
- 36563
- InChIKey
- WQMGJQCQQDJBPM-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OCc3cnn(CC(=O)N2CCCN(Cc1ccccc1(F))C2)c3c5(c4)
- Standard InChI
- InChI=1S/C24H25FN4O2/c1-17-7-8-22-20(11-17)24-19(15-31-22)12-26-29(24)14-23(30)28-10-4-9-27(16-28)13-18-5-2-3-6-21(18)25/h2-3,5-8,11-12H,4,9-10,13-16H2,1H3
- Stored Murcko scaffold
- n1cc2c(-c3ccccc3OC2)n1C[CH]N4CN(Cc5ccccc5)CCC4
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
- 50.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.99
- 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 · 7965671