Molecule card · MolClass #36191
24809279
24809279: 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
- 24809279Mitochondrial Fusion · compound_name
- MolClass ID
- 36191
- InChIKey
- NLZNOCHSXSJILW-UHFFFAOYSA-N
- Canonical SMILES
- CCCC3(NC(c1ccco1)C2C(=O)N(C)C(=O)C23)(C(=O)OCC)
- Standard InChI
- InChI=1S/C17H22N2O5/c1-4-8-17(16(22)23-5-2)12-11(14(20)19(3)15(12)21)13(18-17)10-7-6-9-24-10/h6-7,9,11-13,18H,4-5,8H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH]C2CNC(c3occc3)C2[CH]1
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
- 6
- 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
- 88.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.092
- 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 · 24809279