Molecule card · MolClass #45132
24815810
24815810: 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
- 24815810Mitochondrial Fusion · compound_name
- MolClass ID
- 45132
- InChIKey
- VWKYUQJOOBOALR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C(=O)Nc2cccc(c2)c3ccc4nncn4(n3)
- Standard InChI
- InChI=1S/C19H15N5O/c1-13-5-2-3-8-16(13)19(25)21-15-7-4-6-14(11-15)17-9-10-18-22-20-12-24(18)23-17/h2-12H,1H3,(H,21,25)
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)-c3cccc(c3)N[CH]c4ccccc4
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.767
- 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 · 24815810