Molecule card · MolClass #44384
14746562
14746562: 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
- 14746562Mitochondrial Fusion · compound_name
- MolClass ID
- 44384
- InChIKey
- NVWATUJGRHJHMC-UHFFFAOYSA-N
- Canonical SMILES
- NC3=C(NCc1ccccc1)C(=O)NC(=O)N3(Cc2ccccc2)
- Standard InChI
- InChI=1S/C18H18N4O2/c19-16-15(20-11-13-7-3-1-4-8-13)17(23)21-18(24)22(16)12-14-9-5-2-6-10-14/h1-10,20H,11-12,19H2,(H,21,23,24)
- Stored Murcko scaffold
- c1ccc(cc1)CNC=2[CH]N[CH]N(C2)Cc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.762
- 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 · 14746562