Molecule card · MolClass #36572
7965510
7965510: 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
- 7965510Mitochondrial Fusion · compound_name
- MolClass ID
- 36572
- InChIKey
- OMRGMEMGXQGGKE-UHFFFAOYSA-N
- Canonical SMILES
- CCN4CCCC4(CNC(=O)c3cc2C(=O)N(C)c1ccccc1c2n3(C))
- Standard InChI
- InChI=1S/C21H26N4O2/c1-4-25-11-7-8-14(25)13-22-20(26)18-12-16-19(23(18)2)15-9-5-6-10-17(15)24(3)21(16)27/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,22,26)
- Stored Murcko scaffold
- n1cc2cc([CH]NCC3NCCC3)[nH]c2c4ccccc14
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.481
- 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 · 7965510