Molecule card · MolClass #32468
14741501
14741501: 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
- 14741501Antifungal Pump Inhibitors · compound_name14741501Mitochondrial Fusion · compound_name
- MolClass ID
- 32468
- InChIKey
- HNXVNLIYTRBZOT-BMHONFFRSA-N
- Canonical SMILES
- CC(=O)C2C1C(=O)N(C(=O)C1C3c4ccccc4(C=CN23))C5CCCCC5
- Standard InChI
- InChI=1S/C22H24N2O3/c1-13(25)19-17-18(20-16-10-6-5-7-14(16)11-12-23(19)20)22(27)24(21(17)26)15-8-3-2-4-9-15/h5-7,10-12,15,17-20H,2-4,8-9H2,1H3/t17-,18+,19-,20?/m1/s1
- Stored Murcko scaffold
- c1ccc2c(c1)C=CN3CC4[CH]N([CH]C4C23)C5CCCCC5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.796
- 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 · 14741501
Mitochondrial Fusion
Dataset #19 · 14741501