Molecule card · MolClass #44124
24795529
24795529: 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
- 24795529Mitochondrial Fusion · compound_name
- MolClass ID
- 44124
- InChIKey
- YTWBZFMOWAOPON-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C=CC2=NC(=C(C=O)C(=O)N2(C=1))N3CCN(CC3)c4ccccc4
- Standard InChI
- InChI=1S/C20H20N4O2/c1-15-7-8-18-21-19(17(14-25)20(26)24(18)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]C=C1N3CCN(c4ccccc4)CC3
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.
- 24795667#46697
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.123
- 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 · 24795529