Molecule card · MolClass #38715
17513243
17513243: 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
- 17513243Mitochondrial Fusion · compound_name
- MolClass ID
- 38715
- InChIKey
- MINMHOUNGOUDNR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OCc1ccccc1)C3=NNC4C(=O)N(c2ccccc2)C(=O)C34
- Standard InChI
- InChI=1S/C19H15N3O4/c23-17-14-15(18(24)22(17)13-9-5-2-6-10-13)20-21-16(14)19(25)26-11-12-7-3-1-4-8-12/h1-10,14-15,20H,11H2
- Stored Murcko scaffold
- N=1NC2[CH]N([CH]C2C1[CH]OCc3ccccc3)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.
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
- 349.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.064
- 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 · 17513243