Molecule card · MolClass #40677
7972227
7972227: 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
- 7972227Mitochondrial Fusion · compound_name
- MolClass ID
- 40677
- InChIKey
- DEIVIPIPMMRDPG-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2=C(C)N(C(=O)N=C2(NCc1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C20H19N3O2/c1-14-18(15(2)24)19(21-13-16-9-5-3-6-10-16)22-20(25)23(14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,21,22,25)
- Stored Murcko scaffold
- N=1[CH]N(C=CC1NCc2ccccc2)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.39
- 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 · 7972227