Molecule card · MolClass #42251
24834998
24834998: 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
- 24834998Mitochondrial Fusion · compound_name
- MolClass ID
- 42251
- InChIKey
- NUXINGDXDJVEGV-UHFFFAOYSA-N
- Canonical SMILES
- CN2c3ccccc3(C(=O)NC2(c1ccc(cc1)Cl))
- Standard InChI
- InChI=1S/C15H13ClN2O/c1-18-13-5-3-2-4-12(13)15(19)17-14(18)10-6-8-11(16)9-7-10/h2-9,14H,1H3,(H,17,19)
- Stored Murcko scaffold
- c1ccc(cc1)C2N[CH]c3ccccc3N2
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.
- 26664856#28432
- 24808354#36761
- 24807630#37676
- 24825199#38630
- Clc1ccccc1C1NC(=O)c2ccccc2N1#154470
- Fc1cccc(Cl)c1C1NC(=O)c2ccccc2N1#154834
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.73 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.118
- 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 · 24834998