Molecule card · MolClass #42151
24813101
24813101: 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
- 24813101Mitochondrial Fusion · compound_name
- MolClass ID
- 42151
- InChIKey
- OWXXLAAMZIFDKM-XBXARRHUSA-N
- Canonical SMILES
- N#CC(=Cc1ccco1)C(=O)Nn2cnnc2
- Standard InChI
- InChI=1S/C10H7N5O2/c11-5-8(4-9-2-1-3-17-9)10(16)14-15-6-12-13-7-15/h1-4,6-7H,(H,14,16)/b8-4+
- Stored Murcko scaffold
- n1ncn(c1)N[CH]C=Cc2occc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.195 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.618
- 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 · 24813101