Molecule card · MolClass #37084
24783410
24783410: 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
- 24783410Mitochondrial Fusion · compound_name
- MolClass ID
- 37084
- InChIKey
- SJQXTZQXFXMIQD-UHFFFAOYSA-N
- Canonical SMILES
- CCCN1CNC3=C(C1)C(=O)NC(N3(CCc2ccccc2))=S
- Standard InChI
- InChI=1S/C17H22N4OS/c1-2-9-20-11-14-15(18-12-20)21(17(23)19-16(14)22)10-8-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3,(H,19,22,23)
- Stored Murcko scaffold
- c1ccc(cc1)CCN2[CH]N[CH]C3=C2NCNC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.741
- 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 · 24783410