Molecule card · MolClass #45312
17401757
17401757: 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
- 17401757Mitochondrial Fusion · compound_name
- MolClass ID
- 45312
- InChIKey
- VOSSNDIFQDRPCM-UFFVCSGVSA-N
- Canonical SMILES
- O=C(Cn1cncn1)NN=Cc3c4ccccc4(cc2ccccc23)
- Standard InChI
- InChI=1S/C19H15N5O/c25-19(11-24-13-20-12-22-24)23-21-10-18-16-7-3-1-5-14(16)9-15-6-2-4-8-17(15)18/h1-10,12-13H,11H2,(H,23,25)/b21-10+
- Stored Murcko scaffold
- n1cnn(c1)C[CH]NN=Cc2c3ccccc3cc4ccccc42
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.011
- 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 · 17401757