Molecule card · MolClass #29280
7970675
7970675: 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
- 7970675Antifungal Pump Inhibitors · compound_name7970675Mitochondrial Fusion · compound_name
- MolClass ID
- 29280
- InChIKey
- BLKFSHZIYCODCI-KAMYIIQDSA-N
- Canonical SMILES
- CCC(=O)N=C2N(C)c1c(F)cc(F)cc1S2
- Standard InChI
- InChI=1S/C11H10F2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-
- Stored Murcko scaffold
- S1[CH]Nc2ccccc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 57.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.061
- 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 · 7970675
Mitochondrial Fusion
Dataset #19 · 7970675