Molecule card · MolClass #40243
14735477
14735477: 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
- 14735477Mitochondrial Fusion · compound_name
- MolClass ID
- 40243
- InChIKey
- NHPRIVBGYOGDGT-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CCCN1N=Cn2c3ccoc3(cc2(C1(=O)))
- Standard InChI
- InChI=1S/C14H15N3O4/c1-2-20-13(18)4-3-6-17-14(19)11-8-12-10(5-7-21-12)16(11)9-15-17/h5,7-9H,2-4,6H2,1H3
- Stored Murcko scaffold
- n1ncn2c(c1)cc3occc32
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.684
- 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 · 14735477