Molecule card · MolClass #46960
7976233
7976233: 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
- 7976233Mitochondrial Fusion · compound_name
- MolClass ID
- 46960
- InChIKey
- PBZZQWVRVASUDK-LFVJCYFKSA-N
- Canonical SMILES
- N#Cc4c(N=CN1CCCC1)oc(c2ccccc2)c4(c3ccccc3)
- Standard InChI
- InChI=1S/C22H19N3O/c23-15-19-20(17-9-3-1-4-10-17)21(18-11-5-2-6-12-18)26-22(19)24-16-25-13-7-8-14-25/h1-6,9-12,16H,7-8,13-14H2/b24-16+
- Stored Murcko scaffold
- N(=CN1CCCC1)c2oc(-c3ccccc3)c(c2)-c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.894
- 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 · 7976233