Molecule card · MolClass #45178
7969018
7969018: 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
- 7969018Mitochondrial Fusion · compound_name
- MolClass ID
- 45178
- InChIKey
- LUHONOASHDLVOL-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c4cc(C(=O)N1CCCCCC1)n(C)c4(c2ccccc23)
- Standard InChI
- InChI=1S/C20H23N3O2/c1-21-17(20(25)23-11-7-3-4-8-12-23)13-15-18(21)14-9-5-6-10-16(14)22(2)19(15)24/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
- Stored Murcko scaffold
- n1cc2cc([CH]N3CCCCCC3)[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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.026
- 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 · 7969018