Molecule card · MolClass #39384
24796472
24796472: 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
- 24796472Mitochondrial Fusion · compound_name
- MolClass ID
- 39384
- InChIKey
- MHIGYURNGXWTCZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OCc1ccccc1)C3=NNC4C(=O)N(Cc2ccccc2)C(=O)C34
- Standard InChI
- InChI=1S/C20H17N3O4/c24-18-15-16(19(25)23(18)11-13-7-3-1-4-8-13)21-22-17(15)20(26)27-12-14-9-5-2-6-10-14/h1-10,15-16,21H,11-12H2
- Stored Murcko scaffold
- N=1NC2[CH]N([CH]C2C1[CH]OCc3ccccc3)Cc4ccccc4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.208
- 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 · 24796472