Molecule card · MolClass #39943
14727975
14727975: 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
- 14727975Mitochondrial Fusion · compound_name
- MolClass ID
- 39943
- InChIKey
- IYGPTHODBQXSGP-UHFFFAOYSA-N
- Canonical SMILES
- CC1=C(O)C=C3N(C1(=O))c2ccc(cc2C3(C)(C))Cl
- Standard InChI
- InChI=1S/C15H14ClNO2/c1-8-12(18)7-13-15(2,3)10-6-9(16)4-5-11(10)17(13)14(8)19/h4-7,18H,1-3H3
- Stored Murcko scaffold
- c1ccc2c(c1)N3[CH]C=CC=C3C2
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
- 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
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.731 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.984
- 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 · 14727975