Molecule card · MolClass #51368
14746312
14746312: 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
- 14746312Mitochondrial Fusion · compound_name
- MolClass ID
- 51368
- InChIKey
- JXYJXIFBZNKALM-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(NC(c1ccc(cc1Cl)Cl)N3(Cc2ccccc2))
- Standard InChI
- InChI=1S/C21H16Cl2N2O/c22-15-10-11-16(18(23)12-15)20-24-19-9-5-4-8-17(19)21(26)25(20)13-14-6-2-1-3-7-14/h1-12,20,24H,13H2
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]c3ccccc3NC2c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.909
- 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 · 14746312