Molecule card · MolClass #37475
24828475
24828475: 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
- 24828475Mitochondrial Fusion · compound_name
- MolClass ID
- 37475
- InChIKey
- APXUOFDQASUNGH-WUXMJOGZSA-N
- Canonical SMILES
- Cc1c(C=NO)c2ccccn2(c1(C=O))
- Standard InChI
- InChI=1S/C11H10N2O2/c1-8-9(6-12-15)10-4-2-3-5-13(10)11(8)7-14/h2-7,15H,1H3/b12-6+
- Stored Murcko scaffold
- c1ccn2cccc2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.21 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.289
- 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 · 24828475