Molecule card · MolClass #52358
861462
861462: 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
- 861462Mitochondrial Fusion · compound_name
- MolClass ID
- 52358
- InChIKey
- KSMCQTZOQVGVDF-GIJQJNRQSA-N
- Canonical SMILES
- Cc2cc3ncn(N=Cc1cccnc1)c3(cc2(C))
- Standard InChI
- InChI=1S/C15H14N4/c1-11-6-14-15(7-12(11)2)19(10-17-14)18-9-13-4-3-5-16-8-13/h3-10H,1-2H3/b18-9+
- Stored Murcko scaffold
- n1cccc(c1)C=Nn2cnc3ccccc32
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.
- 14721099#26956
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.867
- 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 · 861462