Molecule card · MolClass #45069
22404384
22404384: 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
- 22404384Mitochondrial Fusion · compound_name
- MolClass ID
- 45069
- InChIKey
- VZMIMONWQGIZIP-XDHOZWIPSA-N
- Canonical SMILES
- Cc3cc(C=C2NC(=O)N(c1ccccc1)C2(=O))c(C)n3c4cccnc4
- Standard InChI
- InChI=1S/C21H18N4O2/c1-14-11-16(15(2)24(14)18-9-6-10-22-13-18)12-19-20(26)25(21(27)23-19)17-7-4-3-5-8-17/h3-13H,1-2H3,(H,23,27)/b19-12+
- Stored Murcko scaffold
- n1cccc(c1)-n2ccc(C=C3[CH]N([CH]N3)c4ccccc4)c2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.02
- 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 · 22404384