Molecule card · MolClass #47436
17401919
17401919: 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
- 17401919Mitochondrial Fusion · compound_name
- MolClass ID
- 47436
- InChIKey
- ZPGYTRCSZLHPEY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CNc3nc2ccccc2n4cnnc34
- Standard InChI
- InChI=1S/C17H15N5/c1-12-6-8-13(9-7-12)10-18-16-17-21-19-11-22(17)15-5-3-2-4-14(15)20-16/h2-9,11H,10H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2c1)NCc4ccccc4
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.
- 1987029#15146
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.873
- 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 · 17401919