Molecule card · MolClass #44508
14736098
14736098: 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
- 14736098Mitochondrial Fusion · compound_name
- MolClass ID
- 44508
- InChIKey
- CTXBIEWMRWEGOR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1C(=O)CC(C)(C)Cc1n2c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C17H18ClNO/c1-11-8-14-15(9-17(2,3)10-16(14)20)19(11)13-6-4-12(18)5-7-13/h4-8H,9-10H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)-n2ccc3[CH]CCCc32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.784 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.813
- 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 · 14736098