Molecule card · MolClass #43106
24799082
24799082: 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
- 24799082Mitochondrial Fusion · compound_name
- MolClass ID
- 43106
- InChIKey
- RTILHYSSBGAHHP-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccon1)N(C)Cc4cn(C)nc4(c2ccc(cc2)Oc3ccccc3)
- Standard InChI
- InChI=1S/C23H24N4O2/c1-17(22-13-14-28-25-22)26(2)15-19-16-27(3)24-23(19)18-9-11-21(12-10-18)29-20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3
- Stored Murcko scaffold
- n1occc1CNCc2c[nH]nc2-c3ccc(Oc4ccccc4)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.555
- 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 · 24799082