Molecule card · MolClass #42232
7975438
7975438: 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
- 7975438Mitochondrial Fusion · compound_name
- MolClass ID
- 42232
- InChIKey
- UBRBCWODWFDUNV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccnc(c1)N3C(C)=Nc2ccccc2C3(=O)
- Standard InChI
- InChI=1S/C15H13N3O/c1-10-7-8-16-14(9-10)18-11(2)17-13-6-4-3-5-12(13)15(18)19/h3-9H,1-2H3
- Stored Murcko scaffold
- n1ccccc1N2C=Nc3ccccc3[CH]2
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.
- 14730607#33094
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.554
- 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 · 7975438