Molecule card · MolClass #38433
7967682
7967682: 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
- 7967682Mitochondrial Fusion · compound_name
- MolClass ID
- 38433
- InChIKey
- VLGIDBPNXOQUIB-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)c2ncnc4c2SC(N4(c3ccccc3))=S
- Standard InChI
- InChI=1S/C17H19N5S2/c1-2-20-8-10-21(11-9-20)15-14-16(19-12-18-15)22(17(23)24-14)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
- Stored Murcko scaffold
- n1cnc(c2S[CH]N(c3ccccc3)c12)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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.499 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.543
- 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 · 7967682