Molecule card · MolClass #37577
4247632
4247632: 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
- 4247632Mitochondrial Fusion · compound_name
- MolClass ID
- 37577
- InChIKey
- FHOUKTCDMZUIKD-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C1CCCN1C(c2ccccc2)N3c4ccccn4
- Standard InChI
- InChI=1S/C17H17N3O/c21-17-14-9-6-12-19(14)16(13-7-2-1-3-8-13)20(17)15-10-4-5-11-18-15/h1-5,7-8,10-11,14,16H,6,9,12H2
- Stored Murcko scaffold
- n1ccccc1N2[CH]C3N(CCC3)C2c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.768
- 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 · 4247632