Molecule card · MolClass #44534
4250288
4250288: 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
- 4250288Mitochondrial Fusion · compound_name
- MolClass ID
- 44534
- InChIKey
- FSTCNVDYNLAILD-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3ccccc3(NC(c1ccc(cc1Cl)Cl)N2(O))
- Standard InChI
- InChI=1S/C14H10Cl2N2O2/c15-8-5-6-9(11(16)7-8)13-17-12-4-2-1-3-10(12)14(19)18(13)20/h1-7,13,17,20H
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2NC1c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.148 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.371
- 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 · 4250288