Molecule card · MolClass #37025
22405162
22405162: 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
- 22405162Mitochondrial Fusion · compound_name
- MolClass ID
- 37025
- InChIKey
- JGGFEQHXSNEDMV-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c4c(N=CN2(Cc1ccccc1))nc3CCCn34
- Standard InChI
- InChI=1S/C15H14N4O/c20-15-13-14(17-12-7-4-8-19(12)13)16-10-18(15)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2
- Stored Murcko scaffold
- N1=CN([CH]c2c1nc3n2CCC3)Cc4ccccc4
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
- 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
- 50.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.845
- 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 · 22405162