Molecule card · MolClass #40520
24801351
24801351: 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
- 24801351Mitochondrial Fusion · compound_name
- MolClass ID
- 40520
- InChIKey
- XNNPAMYYLANKQM-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C(=O)Nn2cnnc2
- Standard InChI
- InChI=1S/C10H10N4O2/c1-16-9-4-2-3-8(5-9)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]c2ccccc2
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
- 4
- 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
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 218.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.92
- 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 · 24801351