Molecule card · MolClass #48551
4241537
4241537: 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
- 4241537Mitochondrial Fusion · compound_name
- MolClass ID
- 48551
- InChIKey
- WCUUOSBFHCAEGY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Cn3nnc2C(=O)N(C=Nc23)Cc4cc(C)ccc4(C)
- Standard InChI
- InChI=1S/C21H21N5O/c1-14-5-8-17(9-6-14)11-26-20-19(23-24-26)21(27)25(13-22-20)12-18-10-15(2)4-7-16(18)3/h4-10,13H,11-12H2,1-3H3
- Stored Murcko scaffold
- n1nn(c2N=CN([CH]c12)Cc3ccccc3)Cc4ccccc4
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.
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
- 63.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.035
- 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 · 4241537