Molecule card · MolClass #50527
17510681
17510681: 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
- 17510681Mitochondrial Fusion · compound_name
- MolClass ID
- 50527
- InChIKey
- VXAZREWVHNCEBE-HIXSDJFHSA-N
- Canonical SMILES
- CCCC34(CN1CCN(CC(C1)C3(=NNC(=O)c2ccc(cc2)C(C)(C)C))C4)
- Standard InChI
- InChI=1S/C23H34N4O/c1-5-10-23-15-26-11-12-27(16-23)14-18(13-26)20(23)24-25-21(28)17-6-8-19(9-7-17)22(2,3)4/h6-9,18H,5,10-16H2,1-4H3,(H,25,28)/b24-20+
- Stored Murcko scaffold
- N(N[CH]c1ccccc1)=C2C3CN4CCN(C3)CC2C4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.543 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.093
- 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 · 17510681