Molecule card · MolClass #43801
17510924
17510924: 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
- 17510924Mitochondrial Fusion · compound_name
- MolClass ID
- 43801
- InChIKey
- SNVMUUHCPJVPKO-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2nnn(CC(=O)NC(=O)Nc1cccc(C)c1(C))c2(C(=O)OC)
- Standard InChI
- InChI=1S/C17H19N5O6/c1-9-6-5-7-11(10(9)2)18-17(26)19-12(23)8-22-14(16(25)28-4)13(20-21-22)15(24)27-3/h5-7H,8H2,1-4H3,(H2,18,19,23,26)
- Stored Murcko scaffold
- n1nn(cc1)C[CH]N[CH]Nc2ccccc2
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
- 10
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 141.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.778
- 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 · 17510924