Molecule card · MolClass #41529
17413216
17413216: 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
- 17413216Mitochondrial Fusion · compound_name
- MolClass ID
- 41529
- InChIKey
- YVSKWVPVDWXZLI-SFQUDFHCSA-N
- Canonical SMILES
- CN3CCCCC3(=NCCCn2cnc1c2(C(=O)N(C)C(=O)N1(C)))
- Standard InChI
- InChI=1S/C16H24N6O2/c1-19-9-5-4-7-12(19)17-8-6-10-22-11-18-14-13(22)15(23)21(3)16(24)20(14)2/h11H,4-10H2,1-3H3/b17-12+
- Stored Murcko scaffold
- n1cnc2ncn(c2c1)CCCN=C3NCCCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.194
- 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 · 17413216