Molecule card · MolClass #39276
24785729
24785729: 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
- 24785729Mitochondrial Fusion · compound_name
- MolClass ID
- 39276
- InChIKey
- QZJCKVPBSIYPEX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)OCCN3c2ccccc2N4N=C(C)C(=O)N=C34
- Standard InChI
- InChI=1S/C19H18N4O2/c1-13-7-9-15(10-8-13)25-12-11-22-16-5-3-4-6-17(16)23-19(22)20-18(24)14(2)21-23/h3-10H,11-12H2,1-2H3
- Stored Murcko scaffold
- N=1[CH]C=NN2C1N(c3ccccc32)CCOc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.389
- 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 · 24785729