Molecule card · MolClass #41068
7974993
7974993: 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
- 7974993Mitochondrial Fusion · compound_name
- MolClass ID
- 41068
- InChIKey
- OLTVUSSSEQRDLG-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C(=O)NC(c1cccnc1)C(C(=O)OC)=C2(C)
- Standard InChI
- InChI=1S/C14H17N3O3/c1-4-17-9(2)11(13(18)20-3)12(16-14(17)19)10-6-5-7-15-8-10/h5-8,12H,4H2,1-3H3,(H,16,19)
- Stored Murcko scaffold
- [N]1C=CC(N[CH]1)c2cnccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.692
- 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 · 7974993