Molecule card · MolClass #40814
24786958
24786958: 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
- 24786958Mitochondrial Fusion · compound_name
- MolClass ID
- 40814
- InChIKey
- LNDLFEPLTJMVHT-UHFFFAOYSA-N
- Canonical SMILES
- OC=3C=C(c1ccncc1)N(c2ccc(cc2)Cl)C(=O)C=3c4ccccc4
- Standard InChI
- InChI=1S/C22H15ClN2O2/c23-17-6-8-18(9-7-17)25-19(15-10-12-24-13-11-15)14-20(26)21(22(25)27)16-4-2-1-3-5-16/h1-14,26H
- Stored Murcko scaffold
- n1ccc(cc1)C2=CC=C([CH]N2c3ccccc3)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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.82 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.695
- 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 · 24786958