Molecule card · MolClass #38533
14719126
14719126: 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
- 14719126Mitochondrial Fusion · compound_name
- MolClass ID
- 38533
- InChIKey
- OPMZNYWGVVDUKG-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=O)c4c(C1)nn(c2ccccc2)c4(c3ccncc3))
- Standard InChI
- InChI=1S/C20H19N3O/c1-20(2)12-16-18(17(24)13-20)19(14-8-10-21-11-9-14)23(22-16)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
- Stored Murcko scaffold
- n1ccc(cc1)-c2c3[CH]CCCc3nn2-c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.995
- 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 · 14719126