Molecule card · MolClass #39734
3712501
3712501: 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
- 3712501Mitochondrial Fusion · compound_name
- MolClass ID
- 39734
- InChIKey
- LVNUTVMJASDDPQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc4noc(C)c4(CN3C(=O)NC1(CCc2ccccc2(C1))C3(=O))
- Standard InChI
- InChI=1S/C18H19N3O3/c1-11-15(12(2)24-20-11)10-21-16(22)18(19-17(21)23)8-7-13-5-3-4-6-14(13)9-18/h3-6H,7-10H2,1-2H3,(H,19,23)
- Stored Murcko scaffold
- n1occ(c1)CN2[CH]NC3([CH]2)Cc4ccccc4CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.919
- 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 · 3712501