Molecule card · MolClass #43871
848290
848290: 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
- 848290Mitochondrial Fusion · compound_name
- MolClass ID
- 43871
- InChIKey
- CFPSCCKTTHTZES-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)CN2N=Nc4c(C2(=O))c3CCCCc3s4
- Standard InChI
- InChI=1S/C15H15N5O3S/c1-8-6-11(18-23-8)16-12(21)7-20-15(22)13-9-4-2-3-5-10(9)24-14(13)17-19-20/h6H,2-5,7H2,1H3,(H,16,18,21)
- Stored Murcko scaffold
- N1=NN([CH]c2c1sc3c2CCCC3)C[CH]Nc4nocc4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.142
- 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 · 848290