Molecule card · MolClass #35992
14739465
14739465: 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
- 14739465Mitochondrial Fusion · compound_name
- MolClass ID
- 35992
- InChIKey
- DFPKZZMEOGDHDQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN1C(=O)C2NN=C(C(=O)OC)C2(C1(=O))
- Standard InChI
- InChI=1S/C11H15N3O4/c1-3-4-5-14-9(15)6-7(10(14)16)12-13-8(6)11(17)18-2/h6-7,12H,3-5H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]C2C=NNC2[CH]1
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
- 7
- 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
- 88.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.138
- 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 · 14739465