Molecule card · MolClass #48656
24824436
24824436: 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
- 24824436Mitochondrial Fusion · compound_name
- MolClass ID
- 48656
- InChIKey
- DMQIXLDNRATNBD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(O)c(c1)C(=O)c3cc(C#N)c4nc2ccccc2n4(c3)
- Standard InChI
- InChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3
- Stored Murcko scaffold
- n1c2ccccc2n3cc(ccc13)[CH]c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.025
- 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 · 24824436