Molecule card · MolClass #47540
14746700
14746700: 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
- 14746700Mitochondrial Fusion · compound_name
- MolClass ID
- 47540
- InChIKey
- BPSNIISFBUZYCL-UHFFFAOYSA-N
- Canonical SMILES
- CCCN1C(N)=C(C(=O)N(CCC)C1(=O))Sc2ccccc2
- Standard InChI
- InChI=1S/C16H21N3O2S/c1-3-10-18-14(17)13(22-12-8-6-5-7-9-12)15(20)19(11-4-2)16(18)21/h5-9H,3-4,10-11,17H2,1-2H3
- Stored Murcko scaffold
- n1cncc(Sc2ccccc2)c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.796
- 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 · 14746700