Molecule card · MolClass #48355
22412064
22412064: 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
- 22412064Mitochondrial Fusion · compound_name
- MolClass ID
- 48355
- InChIKey
- MDXZPDHOQIAVNF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c(n1)nc(c(C)c2Cl)N3CCCC3
- Standard InChI
- InChI=1S/C14H16ClN3/c1-9-5-6-11-12(15)10(2)14(17-13(11)16-9)18-7-3-4-8-18/h5-6H,3-4,7-8H2,1-2H3
- Stored Murcko scaffold
- n1cccc2ccc(nc12)N3CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.75 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.81
- 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 · 22412064