Molecule card · MolClass #43847
7965438
7965438: 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
- 7965438Mitochondrial Fusion · compound_name
- MolClass ID
- 43847
- InChIKey
- YVOKYPBRVIHUFV-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccc(cc1)C3C4C(=O)NC(=O)C4(ON3(c2ccc(cc2)Cl))
- Standard InChI
- InChI=1S/C19H18ClN3O3/c1-22(2)13-7-3-11(4-8-13)16-15-17(19(25)21-18(15)24)26-23(16)14-9-5-12(20)6-10-14/h3-10,15-17H,1-2H3,(H,21,24,25)
- Stored Murcko scaffold
- O1N(c2ccccc2)C(c3ccccc3)C4[CH]N[CH]C14
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
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.818 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.634
- 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 · 7965438