Molecule card · MolClass #38588
22404618
22404618: 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
- 22404618Mitochondrial Fusion · compound_name
- MolClass ID
- 38588
- InChIKey
- JPKAQKQEQUIEHR-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=C(OC(=O)c1cccnc1Cl)c3ccccc3(O2)
- Standard InChI
- InChI=1S/C15H8ClNO4/c16-14-10(5-3-7-17-14)15(19)21-12-8-13(18)20-11-6-2-1-4-9(11)12/h1-8H
- Stored Murcko scaffold
- n1cccc(c1)[CH]OC2=C[CH]Oc3ccccc32
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.682 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.06
- 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 · 22404618