Molecule card · MolClass #35272
14738145
14738145: 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
- 14738145Antifungal Pump Inhibitors · compound_name14738145Mitochondrial Fusion · compound_name
- MolClass ID
- 35272
- InChIKey
- CGPDJZRBACABMA-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)C2C(C(=O)O)c3ccccc3(C(=O)N2(C))
- Standard InChI
- InChI=1S/C19H19NO3/c1-3-12-8-10-13(11-9-12)17-16(19(22)23)14-6-4-5-7-15(14)18(21)20(17)2/h4-11,16-17H,3H2,1-2H3,(H,22,23)
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2CC1c3ccccc3
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.
- 14738146#44354
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.291
- 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 · 14738145
Mitochondrial Fusion
Dataset #19 · 14738145