Molecule card · MolClass #39904
863447
863447: 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
- 863447Mitochondrial Fusion · compound_name
- MolClass ID
- 39904
- InChIKey
- NYSBKDYDLJWGPN-UHFFFAOYSA-N
- Canonical SMILES
- Oc3ccc2occ(C(=O)c1ccccc1)c2c3Cl
- Standard InChI
- InChI=1S/C15H9ClO3/c16-14-11(17)6-7-12-13(14)10(8-19-12)15(18)9-4-2-1-3-5-9/h1-8,17H
- Stored Murcko scaffold
- o1cc([CH]c2ccccc2)c3ccccc13
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.
- LOPAC 00166#214
- Benzbromarone#1644
- 663373#10886
- 1952026#11468
- 1361563#12877
- 124968897#25079
- 103534066#25237
- 863762#30905
- 47195331#32586
- 7974765#51990
- Prestw-409#78037
- CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(F)cc3)c21#151071
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.684 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.753
- 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 · 863447