Molecule card · MolClass #37550
17511220
17511220: 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
- 17511220Mitochondrial Fusion · compound_name
- MolClass ID
- 37550
- InChIKey
- ZFVPLQSWNLVBLR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1cccc(c1)N3C(=O)Nc2ccccc2N3(O)
- Standard InChI
- InChI=1S/C14H11N3O4/c18-13(19)9-4-3-5-10(8-9)16-14(20)15-11-6-1-2-7-12(11)17(16)21/h1-8,21H,(H,15,20)(H,18,19)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]Nc3ccccc3N2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.055
- 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 · 17511220