Molecule card · MolClass #45435
14733314
14733314: 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
- 14733314Mitochondrial Fusion · compound_name
- MolClass ID
- 45435
- InChIKey
- IGDAHWBHOGLRHU-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3=C(N)Oc1cc4ccccc4(cc1C3(c2cccnc2))
- Standard InChI
- InChI=1S/C19H13N3O/c20-10-16-18(14-6-3-7-22-11-14)15-8-12-4-1-2-5-13(12)9-17(15)23-19(16)21/h1-9,11,18H,21H2
- Stored Murcko scaffold
- n1cccc(c1)C2C=COc3cc4ccccc4cc32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.914
- 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 · 14733314