Molecule card · MolClass #40671
7964681
7964681: 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
- 7964681Mitochondrial Fusion · compound_name
- MolClass ID
- 40671
- InChIKey
- DEJWWXMHDWENOF-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)C3CC(c2ccc(C)cc2)n4nc(N)nc4(N3)
- Standard InChI
- InChI=1S/C20H23N5/c1-3-14-6-10-15(11-7-14)17-12-18(16-8-4-13(2)5-9-16)25-20(22-17)23-19(21)24-25/h4-11,17-18H,3,12H2,1-2H3,(H3,21,22,23,24)
- Stored Murcko scaffold
- n1cnn2c1NC(c3ccccc3)CC2c4ccccc4
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.72
- 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 · 7964681