Molecule card · MolClass #38651
7975417
7975417: 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
- 7975417Mitochondrial Fusion · compound_name
- MolClass ID
- 38651
- InChIKey
- BHMGYGVYWSWMGC-MAEUFBSDSA-N
- Canonical SMILES
- CCOC(O)=CC(C)=Nc2cc(C)nn2(c1ccccc1)
- Standard InChI
- InChI=1S/C16H19N3O2/c1-4-21-16(20)11-12(2)17-15-10-13(3)18-19(15)14-8-6-5-7-9-14/h5-11,20H,4H2,1-3H3/b16-11+,17-12+
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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.
View all molecules with this 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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.119
- 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 · 7975417