Molecule card · MolClass #49299
24813270
24813270: 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
- 24813270Mitochondrial Fusion · compound_name
- MolClass ID
- 49299
- InChIKey
- YFDHVYHGPCYEBQ-HYARGMPZSA-N
- Canonical SMILES
- O=C(Nc2ccccc2(C(=O)NN=Cc1ccncc1))c3ccccc3
- Standard InChI
- InChI=1S/C20H16N4O2/c25-19(16-6-2-1-3-7-16)23-18-9-5-4-8-17(18)20(26)24-22-14-15-10-12-21-13-11-15/h1-14H,(H,23,25)(H,24,26)/b22-14+
- Stored Murcko scaffold
- n1ccc(C=NN[CH]c2ccccc2N[CH]c3ccccc3)cc1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.142
- 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 · 24813270