Molecule card · MolClass #48139
24828827
24828827: 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
- 24828827Mitochondrial Fusion · compound_name
- MolClass ID
- 48139
- InChIKey
- CHEDPJDTJOZOCZ-HNENSFHCSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)NC3=NN(c2ccccc2)C(=O)C3=C4CCCN4(C)
- Standard InChI
- InChI=1S/C22H23N5O2/c1-15-10-12-16(13-11-15)23-22(29)24-20-19(18-9-6-14-26(18)2)21(28)27(25-20)17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H2,23,24,25,29)/b19-18-
- Stored Murcko scaffold
- N1=C(N[CH]Nc2ccccc2)C([CH]N1c3ccccc3)=C4NCCC4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.759
- 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 · 24828827