Molecule card · MolClass #37578
14738209
14738209: 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
- 14738209Mitochondrial Fusion · compound_name
- MolClass ID
- 37578
- InChIKey
- RKYFUURODUYWKJ-UHFFFAOYSA-N
- Canonical SMILES
- CC=4C=C(c1ccccc1)c5c2c(C(=O)N(C)C(=O)N2(C))c(c3ccccc3)n5(N=4)
- Standard InChI
- InChI=1S/C24H20N4O2/c1-15-14-18(16-10-6-4-7-11-16)21-22-19(23(29)27(3)24(30)26(22)2)20(28(21)25-15)17-12-8-5-9-13-17/h4-14H,1-3H3
- Stored Murcko scaffold
- n1cnc2c(c1)c(-c3ccccc3)n4nccc(-c5ccccc5)c24
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.442 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.065
- 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 · 14738209