Molecule card · MolClass #36715
862381
862381: 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
- 862381Mitochondrial Fusion · compound_name
- MolClass ID
- 36715
- InChIKey
- KUXGAUKKKSACNW-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC5(CC1)(Nc2ccccc2c4nc3ccccc3n45)
- Standard InChI
- InChI=1S/C19H19N3/c1-6-12-19(13-7-1)21-15-9-3-2-8-14(15)18-20-16-10-4-5-11-17(16)22(18)19/h2-5,8-11,21H,1,6-7,12-13H2
- Stored Murcko scaffold
- n1c2ccccc2n3c1-c4ccccc4NC35CCCCC5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.495
- 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 · 862381