Molecule card · MolClass #41153
7973993
7973993: 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
- 7973993Mitochondrial Fusion · compound_name
- MolClass ID
- 41153
- InChIKey
- XUZZXSRZRBGXHG-YPKPFQOOSA-N
- Canonical SMILES
- CCOC(=O)C(C#N)=C1C=CN(C=N1)c2ccccc2
- Standard InChI
- InChI=1S/C15H13N3O2/c1-2-20-15(19)13(10-16)14-8-9-18(11-17-14)12-6-4-3-5-7-12/h3-9,11H,2H2,1H3/b14-13-
- Stored Murcko scaffold
- N=1[CH]C=CN(C1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.428
- 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 · 7973993