Molecule card · MolClass #35766
862596
862596: 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
- 862596Mitochondrial Fusion · compound_name
- MolClass ID
- 35766
- InChIKey
- DNSOMCZSWHTTIF-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c3c(O)nn(C1CC(C)N(C)CC1(C))c3(n2)
- Standard InChI
- InChI=1S/C16H24N4O/c1-9-6-11(3)17-15-14(9)16(21)18-20(15)13-7-12(4)19(5)8-10(13)2/h6,10,12-13H,7-8H2,1-5H3,(H,18,21)
- Stored Murcko scaffold
- n1cccc2cnn(c12)C3CCNCC3
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.
- 849291#25760
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.253
- 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 · 862596