Molecule card · MolClass #47121
7970034
7970034: 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
- 7970034Mitochondrial Fusion · compound_name
- MolClass ID
- 47121
- InChIKey
- OANZQUSTOKCTSG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc4n(n1)c(O)c(C(c2ccccc2)N3CCN(C)CC3)s4
- Standard InChI
- InChI=1S/C17H21N5OS/c1-12-18-17-22(19-12)16(23)15(24-17)14(13-6-4-3-5-7-13)21-10-8-20(2)9-11-21/h3-7,14,23H,8-11H2,1-2H3
- Stored Murcko scaffold
- n1cnn2cc(sc12)C(c3ccccc3)N4CCNCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.693
- 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 · 7970034