Molecule card · MolClass #44432
17407937
17407937: 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
- 17407937Mitochondrial Fusion · compound_name
- MolClass ID
- 44432
- InChIKey
- XTOYWMZBOPJBBF-UHFFFAOYSA-N
- Canonical SMILES
- N=C2c5c(N=CN2(Cc1ccco1))oc(c3ccccc3)c5(c4ccccc4)
- Standard InChI
- InChI=1S/C23H17N3O2/c24-22-20-19(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)28-23(20)25-15-26(22)14-18-12-7-13-27-18/h1-13,15,24H,14H2
- Stored Murcko scaffold
- N1=CN([CH]c2c1oc(-c3ccccc3)c2-c4ccccc4)Cc5occc5
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.641
- 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 · 17407937