Molecule card · MolClass #35924
17409209
17409209: 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
- 17409209Mitochondrial Fusion · compound_name
- MolClass ID
- 35924
- InChIKey
- ISNBBLZANARMLY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c3c(C)c(cn3(CCn12))c4ccccc4
- Standard InChI
- InChI=1S/C18H18N2/c1-13-8-9-17-18-14(2)16(15-6-4-3-5-7-15)12-19(18)10-11-20(13)17/h3-9,12H,10-11H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3-c4cccn4CCn3c2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 9.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.192
- 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 · 17409209