Molecule card · MolClass #15438
2062284
2062284: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24828922Mitochondrial Fusion · compound_name
- MolClass ID
- 15438
- InChIKey
- CILQWUBJDAKXPZ-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)CSc2nncc1ccccc12)C3CCCCC3
- Standard InChI
- InChI=1S/C17H21N3OS/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3
- Stored Murcko scaffold
- n1nc(SC[CH][N]C2CCCCC2)c3ccccc3c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.914
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2062284
Mitochondrial Fusion
Dataset #19 · 24828922