Molecule card · MolClass #37388
7966999
7966999: 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
- 7966999Mitochondrial Fusion · compound_name
- MolClass ID
- 37388
- InChIKey
- PEUFFNGXFNXAIU-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccccc1C3CC(Nc2nc(N)nn23)c4ccccc4
- Standard InChI
- InChI=1S/C19H21N5O/c1-2-25-17-11-7-6-10-14(17)16-12-15(13-8-4-3-5-9-13)21-19-22-18(20)23-24(16)19/h3-11,15-16H,2,12H2,1H3,(H3,20,21,22,23)
- Stored Murcko scaffold
- n1cnn2c1NC(c3ccccc3)CC2c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.72
- 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 · 7966999