Molecule card · MolClass #29503
4243984
4243984: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4243984Antifungal Pump Inhibitors · compound_name4243984Mitochondrial Fusion · compound_name
- MolClass ID
- 29503
- InChIKey
- CMQQFBSFQVDHII-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccccc1N4C(=O)c2ccccc2C4(N3(O))
- Standard InChI
- InChI=1S/C15H10N2O3/c18-14-10-6-2-1-5-9(10)13-16(14)12-8-4-3-7-11(12)15(19)17(13)20/h1-8,13,20H
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2N3[CH]c4ccccc4C13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.143
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 4243984
Mitochondrial Fusion
Dataset #19 · 4243984