Molecule card · MolClass #37653
863315
863315: 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
- 863315Mitochondrial Fusion · compound_name
- MolClass ID
- 37653
- InChIKey
- CXNXKSCFJKQGJK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c3c4C(=O)N(C)C(=O)N(C)c4(cn3(Cc2cccnc2))
- Standard InChI
- InChI=1S/C21H20N4O2/c1-14-6-8-16(9-7-14)19-18-17(23(2)21(27)24(3)20(18)26)13-25(19)12-15-5-4-10-22-11-15/h4-11,13H,12H2,1-3H3
- Stored Murcko scaffold
- n1cnc2cn(c(-c3ccccc3)c2c1)Cc4cnccc4
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.
- 862993#31105
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.116
- 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 · 863315