Molecule card · MolClass #38624
22413927
22413927: 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
- 22413927Mitochondrial Fusion · compound_name
- MolClass ID
- 38624
- InChIKey
- ASJFWVSQCXWGOU-UHFFFAOYSA-N
- Canonical SMILES
- O=C3OC(=NC23(CC2(c1ccc(cc1)Cl)))c4ccccc4
- Standard InChI
- InChI=1S/C17H12ClNO2/c18-13-8-6-11(7-9-13)14-10-17(14)16(20)21-15(19-17)12-4-2-1-3-5-12/h1-9,14H,10H2
- Stored Murcko scaffold
- N1=C(O[CH]C12CC2c3ccccc3)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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.736 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.962
- 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 · 22413927