Molecule card · MolClass #45705
7969768
7969768: 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
- 7969768Mitochondrial Fusion · compound_name
- MolClass ID
- 45705
- InChIKey
- PWNLOMKLYXYKRC-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=C(NC(=O)CCc1ccccc1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C15H17N3O3/c1-17-12(10-14(20)18(2)15(17)21)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,19)
- Stored Murcko scaffold
- n1cnc(cc1)N[CH]CCc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.853
- 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 · 7969768