Molecule card · MolClass #51078
17410515
17410515: 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
- 17410515Mitochondrial Fusion · compound_name
- MolClass ID
- 51078
- InChIKey
- GRJNABPGYLAGPR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1cccc(c1)Cl)N2CCCC(=N2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C17H14Cl2N2O/c18-14-8-6-12(7-9-14)16-5-2-10-21(20-16)17(22)13-3-1-4-15(19)11-13/h1,3-4,6-9,11H,2,5,10H2
- Stored Murcko scaffold
- N1=C(c2ccccc2)CCCN1[CH]c3ccccc3
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
- 3
- 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
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.291
- 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 · 17410515