Molecule card · MolClass #38212
7973973
7973973: 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
- 7973973Mitochondrial Fusion · compound_name
- MolClass ID
- 38212
- InChIKey
- VZJZCULDLBWUJA-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c4ccccc4(N=C(c1ccccc1)N2n3cccc3)
- Standard InChI
- InChI=1S/C18H13N3O/c22-18-15-10-4-5-11-16(15)19-17(14-8-2-1-3-9-14)21(18)20-12-6-7-13-20/h1-13H
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N(C1c3ccccc3)n4cccc4
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.
- 7976235#31269
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.892
- 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 · 7973973