Molecule card · MolClass #49533
24794881
24794881: 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
- 24794881Mitochondrial Fusion · compound_name
- MolClass ID
- 49533
- InChIKey
- JCTUXAQXOAUKHI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c(cc(nc2(c1(C)))c3cccnc3)C(=O)N4CCN(CC4)c5ccccc5
- Standard InChI
- InChI=1S/C27H26N4O/c1-19-10-11-23-24(17-25(29-26(23)20(19)2)21-7-6-12-28-18-21)27(32)31-15-13-30(14-16-31)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)-c2nc3ccccc3c(c2)[CH]N4CCN(c5ccccc5)CC4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 422.523 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.043
- 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 · 24794881