Molecule card · MolClass #40910
14729201
14729201: 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
- 14729201Mitochondrial Fusion · compound_name
- MolClass ID
- 40910
- InChIKey
- AXHORYJGDBVDII-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(nc1)c2nccc(n2)c3ccc(cc3)n5cnc4ccccc45
- Standard InChI
- InChI=1S/C22H15N5/c1-2-7-21-19(5-1)25-15-27(21)17-10-8-16(9-11-17)18-12-14-24-22(26-18)20-6-3-4-13-23-20/h1-15H
- Stored Murcko scaffold
- n1ccc(nc1-c2ncccc2)-c3ccc(cc3)-n4cnc5ccccc54
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
- 4
- 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
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.789
- 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 · 14729201