Molecule card · MolClass #42800
24815812
24815812: 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
- 24815812Mitochondrial Fusion · compound_name
- MolClass ID
- 42800
- InChIKey
- ZGJOEMVNEMLRGW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccc(c1)c2ccc3nncn3(n2))c4ccco4
- Standard InChI
- InChI=1S/C16H11N5O2/c22-16(14-5-2-8-23-14)18-12-4-1-3-11(9-12)13-6-7-15-19-17-10-21(15)20-13/h1-10H,(H,18,22)
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)-c3cccc(c3)N[CH]c4occc4
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
- 85.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.03
- 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 · 24815812