Molecule card · MolClass #39816
24805689
24805689: 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
- 24805689Mitochondrial Fusion · compound_name
- MolClass ID
- 39816
- InChIKey
- UDEOTVWGZBMHRP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNC3=NC1(CCCC1)Cc2ccccc23)c4cccnc4
- Standard InChI
- InChI=1S/C19H20N4O/c24-18(15-7-5-11-20-13-15)23-22-17-16-8-2-1-6-14(16)12-19(21-17)9-3-4-10-19/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,21,22)(H,23,24)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NNC2=NC3(Cc4ccccc24)CCCC3
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
- 5
- 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
- 66.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.204
- 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 · 24805689