Molecule card · MolClass #44424
14737617
14737617: 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
- 14737617Mitochondrial Fusion · compound_name
- MolClass ID
- 44424
- InChIKey
- MYHMNMCNLRAFQV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NC=2C=NN(C(=O)C=2Cl)C45(CC3CC(CC(CC(=O)O)(C3)C4)C5)
- Standard InChI
- InChI=1S/C23H26ClN3O3/c1-14-3-2-4-17(5-14)26-18-12-25-27(21(30)20(18)24)23-9-15-6-16(10-23)8-22(7-15,13-23)11-19(28)29/h2-5,12,15-16,26H,6-11,13H2,1H3,(H,28,29)
- Stored Murcko scaffold
- N1=CC(=C[CH]N1C23CC4CC(CC(C4)C2)C3)Nc5ccccc5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.925 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.139
- 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 · 14737617