Molecule card · MolClass #50503
17511547
17511547: 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
- 17511547Mitochondrial Fusion · compound_name
- MolClass ID
- 50503
- InChIKey
- YRNYPXPYNHRXHD-UHFFFAOYSA-N
- Canonical SMILES
- Cn5c6ccccc6(nc5(c3c(N)n(c1ccccc1)c2nc4ccccc4(nc23)))
- Standard InChI
- InChI=1S/C24H18N6/c1-29-19-14-8-7-13-18(19)28-23(29)20-21-24(27-17-12-6-5-11-16(17)26-21)30(22(20)25)15-9-3-2-4-10-15/h2-14H,25H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1-c3cn(-c4ccccc4)c5nc6ccccc6nc53
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.947
- 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 · 17511547