Molecule card · MolClass #43541
17410505
17410505: 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
- 17410505Mitochondrial Fusion · compound_name
- MolClass ID
- 43541
- InChIKey
- GNFHAMHITFBPIH-UHFFFAOYSA-N
- Canonical SMILES
- COC(c1ccccc1)c2c(nn(C)c2Cl)c3ccccc3
- Standard InChI
- InChI=1S/C18H17ClN2O/c1-21-18(19)15(16(20-21)13-9-5-3-6-10-13)17(22-2)14-11-7-4-8-12-14/h3-12,17H,1-2H3
- Stored Murcko scaffold
- n1[nH]cc(c1-c2ccccc2)Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.794 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.325
- 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 · 17410505