Molecule card · MolClass #48442
14733966
14733966: 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
- 14733966Mitochondrial Fusion · compound_name
- MolClass ID
- 48442
- InChIKey
- DSRZSUVDGCYFCT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC=2CCc3ccccc3(N=2)
- Standard InChI
- InChI=1S/C16H16N2/c1-12-6-9-14(10-7-12)17-16-11-8-13-4-2-3-5-15(13)18-16/h2-7,9-10H,8,11H2,1H3,(H,17,18)
- Stored Murcko scaffold
- N=1c2ccccc2CCC1Nc3ccccc3
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
- 2
- 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
- 24.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.309
- 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 · 14733966