Molecule card · MolClass #45719
17402215
17402215: 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
- 17402215Mitochondrial Fusion · compound_name
- MolClass ID
- 45719
- InChIKey
- JTMZNFHJPKPQDT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)Cn2c3ncccc3(cc2C(C)(C)C)
- Standard InChI
- InChI=1S/C19H22N2/c1-14-7-5-8-15(11-14)13-21-17(19(2,3)4)12-16-9-6-10-20-18(16)21/h5-12H,13H2,1-4H3
- Stored Murcko scaffold
- n1cccc2ccn(c12)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.
- 49666177#29594
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 17.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.085
- 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 · 17402215