Molecule card · MolClass #45542
14724868
14724868: 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
- 14724868Mitochondrial Fusion · compound_name
- MolClass ID
- 45542
- InChIKey
- ZHNGFSYJZOZTLL-ZBJSNUHESA-N
- Canonical SMILES
- Cc3ccc(C)c(N=C2CCCN2(Cc1ccccc1))c3(C#N)
- Standard InChI
- InChI=1S/C20H21N3/c1-15-10-11-16(2)20(18(15)13-21)22-19-9-6-12-23(19)14-17-7-4-3-5-8-17/h3-5,7-8,10-11H,6,9,12,14H2,1-2H3/b22-19+
- Stored Murcko scaffold
- N(c1ccccc1)=C2N(Cc3ccccc3)CCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.387
- 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 · 14724868