Molecule card · MolClass #47325
4255442
4255442: 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
- 4255442Mitochondrial Fusion · compound_name
- MolClass ID
- 47325
- InChIKey
- UUGNJZNORKKHEF-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CCC2C(=O)N(C(=O)C2(C1))c4nc3ccccc3n4(C)
- Standard InChI
- InChI=1S/C17H17N3O2/c1-10-7-8-11-12(9-10)16(22)20(15(11)21)17-18-13-5-3-4-6-14(13)19(17)2/h3-7,11-12H,8-9H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1N3[CH]C4CC=CCC4[CH]3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.759
- 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 · 4255442