Molecule card · MolClass #44025
24815662
24815662: 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
- 24815662Mitochondrial Fusion · compound_name
- MolClass ID
- 44025
- InChIKey
- UEWHIPATHUCLQK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc2ccc(nn12)c3cccc(c3)NC(=O)c4ccc(nc4)Cl
- Standard InChI
- InChI=1S/C18H13ClN6O/c1-11-22-23-17-8-6-15(24-25(11)17)12-3-2-4-14(9-12)21-18(26)13-5-7-16(19)20-10-13/h2-10H,1H3,(H,21,26)
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)-c3cccc(c3)N[CH]c4cnccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.789 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.64
- 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 · 24815662